Navigation

name Structure Reference Source Properties Activities Metabolism

2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine

AlkaPlorer ID: AK053795

Synonym: None

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

Structure

SMILES: COC1=CC2=C(C=C1OC)C(=N)NC(N1CCN(C(=O)C3=CC=CO3)CC1)=N2

copy

InChI: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)

copy

InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N

copy

Reference

PubChem CID: 4893

CAS: 19216-56-9

SuperNatural Ⅲ: SN0095822

NPASS: NPC483156

COCONUT: CNP0336050

Source

Species Genus Family Order Class Phylum Kingdom Domain
Illigera luzonensis Illigera Hernandiaceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 383.4080000000002

TPSA？: 107.68

MolLogP？: 1.61497

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 7943.3 nM None
Bos taurus Alpha-1a adrenergic receptor Ki 0.1259 nM 10.1021/jm970166j
Bos taurus Alpha-1a adrenergic receptor Ki 0.17 nM 10.1021/jm00018a001
Bos taurus Alpha-1a adrenergic receptor Ki 0.7244 nM 10.1021/jm960510x
Bos taurus Alpha-1a adrenergic receptor Ki 0.93 nM 10.1021/jm020938y
Bos taurus Alpha-2a adrenergic receptor Ki 106.0 nM 10.1021/jm00018a001
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Canis familiaris Blood pressure 92.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 96.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 100.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 125.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 135.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 145.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 150.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 160.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 165.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 180.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 182.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 186.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 190.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 193.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 196.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 202.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Blood pressure 205.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris DR20 300.0 ug kg-1 10.1021/jm00117a019
Canis lupus familiaris Canis familiaris ED15 0.1 mg kg-1 10.1021/jm00147a003
Canis lupus familiaris Canis familiaris Heart rate 78.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 82.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 82.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 86.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 90.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 92.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 94.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 94.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 96.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 100.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 104.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 106.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 110.0 beats min-1 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris Heart rate 114.0 % 10.1021/jm00145a015
Canis lupus familiaris Canis familiaris ID50 0.011 mg.kg-1 10.1021/jm960697s
Canis lupus familiaris Canis familiaris ID50 0.012 mg.kg-1 10.1021/jm960697s
Canis lupus familiaris Canis familiaris Kb 1.0 ug kg-1 10.1021/jm980506g
Canis lupus familiaris Canis familiaris Kb 1.2 ug kg-1 10.1021/jm980506g
Canis lupus familiaris Canis familiaris Max delta MABP -30.0 mmHg 10.1021/jm00147a003
Canis lupus familiaris MDCK Papp 1.31 ucm/s 10.1124/dmd.112.045666
Canis lupus familiaris MDCK Papp 4.32 ucm/s 10.1124/dmd.112.045666
Canis lupus familiaris MDCK Papp 13.57 ucm/s 10.1124/dmd.112.045666
Canis lupus familiaris MDCK Papp 45.15 ucm/s 10.1124/dmd.112.045666
Canis lupus familiaris MDCK permeability 6.7 % 10.1021/np5002048
Canis lupus familiaris MDCK permeability 35.5 % 10.1021/np5002048
Canis lupus familiaris MDCK Ratio 3.1 None 10.1124/dmd.112.045666
Canis lupus familiaris MDCK Ratio 34.5 None 10.1124/dmd.112.045666
Canis lupus familiaris Plasma Fu 0.37 None 10.1039/C4MD00148F
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Escherichia coli K-12 Beta-lactamase AmpC Inhibition 13.0 % 10.1021/jm030191r
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 12589.3 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 28183.8 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 35481.3 nM None
Homo sapiens Acetylcholinesterase AC50 23749.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Adrenergic receptor alpha Kd 10.0 nM 10.1021/jm00389a007
Homo sapiens Adrenergic receptor alpha-1 EC40 4.5 nM 10.1021/jm00384a009
Homo sapiens Adrenergic receptor alpha-1 EC40 4.5 nM 10.1021/jm00389a007
Homo sapiens Adrenergic receptor alpha-1 IC50 0.17 nM 10.1016/j.bmc.2013.03.016
Homo sapiens Adrenergic receptor alpha-1 IC50 0.2 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Adrenergic receptor alpha-1 IC50 0.86 nM 10.1021/jm058018d
Homo sapiens Adrenergic receptor alpha-1 IC50 1.23 nM 10.1016/j.ejmech.2020.113016
Homo sapiens Adrenergic receptor alpha-1 Kd 0.3802 nM 10.1021/jm00008a005
Homo sapiens Adrenergic receptor alpha-1 Kd 1.0 nM 10.1021/jm00147a003
Homo sapiens Adrenergic receptor alpha-1 Kd 1.738 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-1 Kd 1.995 nM 10.1021/jm960697s
Homo sapiens Adrenergic receptor alpha-1 Kd 1.995 nM 10.1021/jm970166j
Homo sapiens Adrenergic receptor alpha-1 Ki 0.054 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Adrenergic receptor alpha-1 Relative potency 85.0 None 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 EC40 1300.0 nM 10.1021/jm00384a009
Homo sapiens Adrenergic receptor alpha-2 EC40 1300.0 nM 10.1021/jm00389a007
Homo sapiens Adrenergic receptor alpha-2 Kd 10000.0 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 Ki 34.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 36.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 40.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 108.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 123.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 540.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 1600.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 2000.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 2200.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 2260.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 2700.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptors; alpha-1 A & B Ratio 1.0 None 10.1016/s0960-894x(99)00484-9
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 11220.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 28183.8 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 31622.8 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 2.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 3.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 9.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 42.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor Kb 0.2 nM 10.1039/C7MD00629B
Homo sapiens Alpha-1a adrenergic receptor Ke 1.1 nM 10.1016/j.bmc.2011.08.019
Homo sapiens Alpha-1a adrenergic receptor Ke 1.1 nM 10.1016/j.bmcl.2014.02.066
Homo sapiens Alpha-1a adrenergic receptor Ke(app) 1.1 nM 10.1016/j.bmcl.2015.10.012
Homo sapiens Alpha-1a adrenergic receptor Ki 0.04 nM 10.1016/j.ejmech.2014.12.045
Homo sapiens Alpha-1a adrenergic receptor Ki 0.04 nM 10.1021/jm401895u
Homo sapiens Alpha-1a adrenergic receptor Ki 0.15 nM 10.1016/j.ejmech.2017.12.063
Homo sapiens Alpha-1a adrenergic receptor Ki 0.1995 nM 10.1021/jm960697s
Homo sapiens Alpha-1a adrenergic receptor Ki 0.27 nM 10.1021/jm00010a001
Homo sapiens Alpha-1a adrenergic receptor Ki 0.39 nM 10.1021/jm980053f
Homo sapiens Alpha-1a adrenergic receptor Ki 0.51 nM 10.1021/jm00018a001
Homo sapiens Alpha-1a adrenergic receptor Ki 0.58 nM 10.1016/s0960-894x(99)00484-9
Homo sapiens Alpha-1a adrenergic receptor Ki 0.58 nM 10.1021/jm980506g
Homo sapiens Alpha-1a adrenergic receptor Ki 0.58 nM 10.1021/jm981006q
Homo sapiens Alpha-1a adrenergic receptor Ki 0.588 nM 10.1007/s00044-010-9379-1
Homo sapiens Alpha-1a adrenergic receptor Ki 0.5888 nM 10.1007/s00044-010-9379-1
Homo sapiens Alpha-1a adrenergic receptor Ki 0.5888 nM 10.1016/j.ejmech.2017.05.003
Homo sapiens Alpha-1a adrenergic receptor Ki 0.5888 nM 10.1021/jm030952q
Homo sapiens Alpha-1a adrenergic receptor Ki 0.5888 nM 10.1021/jm049153d
Homo sapiens Alpha-1a adrenergic receptor Ki 0.5888 nM 10.1021/jm9810654
Homo sapiens Alpha-1a adrenergic receptor Ki 0.59 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1a adrenergic receptor Ki 0.6 nM 10.1021/jm990201h
Homo sapiens Alpha-1a adrenergic receptor Ki 0.61 nM 10.1021/jm0009336
Homo sapiens Alpha-1a adrenergic receptor Ki 1.862 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1a adrenergic receptor pKb 9.69 None 10.1039/C7MD00629B
Homo sapiens Alpha-1a adrenergic receptor Selectivity 0.0057 None 10.1021/jm00360a008
Homo sapiens Alpha-1b adrenergic receptor Kb 0.004 nM 10.1039/C7MD00629B
Homo sapiens Alpha-1b adrenergic receptor Ki 0.21 nM 10.1021/jm00010a001
Homo sapiens Alpha-1b adrenergic receptor Ki 0.21 nM 10.1021/jm980053f
Homo sapiens Alpha-1b adrenergic receptor Ki 0.2512 nM 10.1021/jm960697s
Homo sapiens Alpha-1b adrenergic receptor Ki 0.28 nM 10.1021/jm981006q
Homo sapiens Alpha-1b adrenergic receptor Ki 0.32 nM 10.1021/jm00018a001
Homo sapiens Alpha-1b adrenergic receptor Ki 0.4074 nM 10.1016/j.ejmech.2017.05.003
Homo sapiens Alpha-1b adrenergic receptor Ki 0.4074 nM 10.1021/jm030952q
Homo sapiens Alpha-1b adrenergic receptor Ki 0.4074 nM 10.1021/jm049153d
Homo sapiens Alpha-1b adrenergic receptor Ki 0.4074 nM 10.1021/jm9810654
Homo sapiens Alpha-1b adrenergic receptor Ki 0.42 nM 10.1021/jm0009336
Homo sapiens Alpha-1b adrenergic receptor Ki 0.4571 nM 10.1021/jm960510x
Homo sapiens Alpha-1b adrenergic receptor Ki 0.55 nM 10.1016/s0960-894x(99)00484-9
Homo sapiens Alpha-1b adrenergic receptor Ki 0.55 nM 10.1021/jm980506g
Homo sapiens Alpha-1b adrenergic receptor Ki 0.6 nM 10.1021/jm990201h
Homo sapiens Alpha-1b adrenergic receptor Ki 1.0 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1b adrenergic receptor Ki 7.943 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1b adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1b adrenergic receptor pKb 11.41 None 10.1039/C7MD00629B
Homo sapiens Alpha-1d adrenergic receptor IC50 0.656 nM None
Homo sapiens Alpha-1d adrenergic receptor IC50 0.88 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-1d adrenergic receptor Inhibition -1.0 % 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-1d adrenergic receptor Kb 0.025 nM 10.1039/C7MD00629B
Homo sapiens Alpha-1d adrenergic receptor Ki 0.17 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2 nM 10.1021/jm980053f
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2239 nM 10.1016/j.ejmech.2017.05.003
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2239 nM 10.1021/jm030952q
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2239 nM 10.1021/jm049153d
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2239 nM 10.1021/jm9810654
Homo sapiens Alpha-1d adrenergic receptor Ki 0.23 nM 10.1021/jm0009336
Homo sapiens Alpha-1d adrenergic receptor Ki 0.29 nM 10.1021/jm981006q
Homo sapiens Alpha-1d adrenergic receptor Ki 0.3 nM 10.1021/jm00010a001
Homo sapiens Alpha-1d adrenergic receptor Ki 0.3 nM 10.1021/jm990201h
Homo sapiens Alpha-1d adrenergic receptor Ki 0.3162 nM 10.1021/jm960697s
Homo sapiens Alpha-1d adrenergic receptor Ki 0.32 nM 10.1021/jm00018a001
Homo sapiens Alpha-1d adrenergic receptor Ki 0.323 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 0.33 nM 10.1016/s0960-894x(99)00484-9
Homo sapiens Alpha-1d adrenergic receptor Ki 0.42 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1d adrenergic receptor Ki 0.43 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-1d adrenergic receptor Ki 0.4571 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-1d adrenergic receptor pKb 10.6 None 10.1039/C7MD00629B
Homo sapiens Alpha-1d adrenergic receptor Ratio 1.0 None 10.1016/s0960-894x(99)00484-9
Homo sapiens Alpha-2a adrenergic receptor AC50 4610.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 5126.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 8300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 2638.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 210.0 nM 10.1021/jm00010a001
Homo sapiens Alpha-2a adrenergic receptor Ki 989.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 2133.0 nM 10.1021/jm00018a001
Homo sapiens Alpha-2a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2b adrenergic receptor AC50 332.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 290.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 13.0 nM 10.1021/jm00010a001
Homo sapiens Alpha-2b adrenergic receptor Ki 133.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 365.0 nM 10.1021/jm00018a001
Homo sapiens Alpha-2b adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2c adrenergic receptor AC50 109.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 647.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 24.0 nM 10.1021/jm00010a001
Homo sapiens Alpha-2c adrenergic receptor Ki 94.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 95.0 nM 10.1021/jm00018a001
Homo sapiens Alpha-2c adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-galactosidase A Potency 28183.8 nM None
Homo sapiens Alpha-galactosidase A Potency 35481.3 nM None
Homo sapiens Alpha-galactosidase A Potency 39810.7 nM None
Homo sapiens Alpha-galactosidase A Potency 44668.4 nM None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor AC50 100000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 39810.7 nM None
Homo sapiens Ataxin-2 Potency 10000.0 nM None
Homo sapiens Ataxin-2 Potency 25118.9 nM None
Homo sapiens Ataxin-2 Potency 39810.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29081.0 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 FC 2.4 None 10.1021/jm401649j
Homo sapiens ATP-binding cassette sub-family G member 2 Inhibition nan % 10.1124/dmd.112.048470
Homo sapiens ATP-binding cassette sub-family G member 2 Kact 1.0 uM 10.1006/bbrc.2001.5130
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Beta-glucocerebrosidase Potency 15848.9 nM None
Homo sapiens Beta-glucocerebrosidase Potency 22387.2 nM None
Homo sapiens Beta-glucocerebrosidase Potency 25118.9 nM None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 171800.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Caco-2 logPapp -5.39 None 10.1016/j.bmc.2011.03.011
Homo sapiens Caco-2 logPapp -4.88 None 10.1016/j.bmc.2011.03.011
Homo sapiens Caco-2 logPapp -4.36 None 10.1016/j.bmc.2009.08.022
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 78.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 31622.8 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chymotrypsin C Inhibition 5.0 % 10.1021/jm030191r
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 6309.6 nM None
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens Delta opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 8639.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki 7100.0 nM 10.1021/jm020938y
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki 8300.0 nM 10.1021/jm020938y
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 29959.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 12589.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 15848.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 19952.6 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ephrin type-A receptor 2 Activity nan None 10.1016/j.ejmech.2017.10.026
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HEK293 Potency 8196.1 nM None
Homo sapiens Hepatocyte CL 2.7 mL.min-1.kg-1 10.1016/j.ejmech.2008.07.027
Homo sapiens Hepatocyte logCL 0.4314 None 10.1016/j.ejmech.2008.07.027
Homo sapiens HERG AC50 3733.6 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 1584.89 nM 10.1016/j.bmcl.2005.03.080
Homo sapiens HERG IC50 1584.89 nM 10.1016/j.ejmech.2010.11.042
Homo sapiens HERG IC50 24277.8 nM None
Homo sapiens HERG Ki 19890.2 nM None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -37.85 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 11.32 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 29934.9 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 0.86 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 4.5 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 4.7 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 4.7 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.19 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.2 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 68.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens Fa 0.86 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fabs 100.0 % 10.1124/dmd.110.034629
Homo sapiens Homo sapiens F_fraction 0.68 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.98 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.8 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.67 L.kg-1 10.1016/j.ejmech.2009.06.004
Homo sapiens Homo sapiens Vdss 0.73 L.kg-1 10.1021/jm901371v
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 12589.3 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 31622.8 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor AC50 4937.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens LNCaP IC50 67460.0 nM 10.1021/jm049153d
Homo sapiens LNCaP IC50 nan nM 10.1021/jm049153d
Homo sapiens Lysine-specific demethylase 4D-like Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 11220.2 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 31622.8 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 28183.8 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 44668.4 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase ERK2 Potency 15848.9 nM None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 4036.0 nM None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 6963.0 nM None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 35481.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 22387.2 nM None
Homo sapiens Microtubule-associated protein tau Potency 35481.3 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 1600.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 74.0 % 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 IC50 38400.0 nM 10.1021/jm301302s
Homo sapiens Multidrug resistance-associated protein 4 IC50 12500.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 4100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 17450.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 13192.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 13299.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Niemann-Pick C1 protein Potency 58047.9 nM None
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 12589.3 nM None
Homo sapiens PC-3 IC50 11720.0 nM 10.1016/j.ejmech.2020.112981
Homo sapiens PC-3 IC50 11720000.0 nM 10.1016/j.ejmech.2021.113749
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 Km 20000.0 nM 10.1073/pnas.94.20.10594
Homo sapiens P-glycoprotein 1 % maximum response 26.6 % None
Homo sapiens P-glycoprotein 1 Papp 143.0 nm/s None
Homo sapiens P-glycoprotein 1 Papp 661.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio 7.946 None 10.1021/acs.jmedchem.0c02011
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 3.4 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 4.63 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Plasma Fu 0.053 None 10.1039/C4MD00148F
Homo sapiens Plasma Fu 0.1 None 10.1016/j.bmcl.2013.04.054
Homo sapiens Plasma T1/2 2.8 hr 10.1016/j.bmc.2008.02.091
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prelamin-A/C Potency 7943.3 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Quinone reductase 2 IC50 7.8 nM 10.1016/j.ejmech.2011.02.010
Homo sapiens Ras-related protein Rab-9A Potency 63095.7 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 14689.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 18492.7 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 8510.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 10.0 nM 10.1021/jm0009336
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 1000.0 nM 10.1016/s0960-894x(98)00217-0
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 1000.0 nM 10.1021/jm9810654
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 1800.0 nM 10.1021/jm020938y
Homo sapiens Serotonin 1b (5-HT1b) receptor Ki 7700.0 nM 10.1021/jm020938y
Homo sapiens Serotonin 1d (5-HT1d) receptor Ki 0.33 nM 10.1021/jm980506g
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity nan None 10.1016/j.bmcl.2014.02.066
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ke(app) nan None 10.1016/j.bmcl.2015.10.012
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 2565.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 25999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 4118.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 2621.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Serum albumin Log K' 0.06 None 10.1021/jm010960b
Homo sapiens SH-SY5Y Potency 35481.3 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) IC50 10100.0 nM 10.1021/jm00381a019
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 58.6 % 10.1021/jm00381a019
Homo sapiens Solute carrier family 22 member 1 IC50 1840.0 nM 10.1038/sj.bjp.0704785
Homo sapiens Solute carrier family 22 member 1 IC50 9900.0 nM 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 1 Inhibition 55.6 % 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 2 IC50 13600.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier family 22 member 2 IC50 100000.0 nM 10.1038/sj.bjp.0704785
Homo sapiens Solute carrier family 22 member 3 IC50 12600.0 nM 10.1038/sj.bjp.0704785
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 25.1 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 36.1 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 1.0 % 10.1021/jm300212s
Homo sapiens Thrombin AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombopoietin Potency 19952.6 nM None
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Type-1 angiotensin II receptor AC50 7799.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5173.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5656.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5804.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7121.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7499.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 10593.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 13335.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18837.5 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Mesocricetus auratus Alpha-1b adrenergic receptor Ki 0.83 nM 10.1021/jm020938y
Mus musculus Alpha-2 adrenergic receptor Ki 13.0 nM 10.1021/jm00018a001
Mus musculus Alpha-2 adrenergic receptor Ki 97.0 nM 10.1021/jm00018a001
Mus musculus Alpha-2 adrenergic receptor Ki 2150.0 nM 10.1021/jm00018a001
Mus musculus Mus musculus ED50 95.0 umol.kg-1 10.1021/jm00120a003
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 12589.3 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 15848.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 19952.6 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Mus musculus Plasma Ratio AUC 1.2 None 10.1124/dmd.110.034629
Oryctolagus cuniculus Alpha-1a adrenergic receptor Kd 5.012 nM 10.1021/jm970166j
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Oryctolagus cuniculus EC40 4.5 nM 10.1021/jm00398a006
Oryctolagus cuniculus Oryctolagus cuniculus EC40 1300.0 nM 10.1021/jm00398a006
Oryctolagus cuniculus Oryctolagus cuniculus Inhibition nan % 10.1016/j.ejmech.2011.04.032
Oryctolagus cuniculus Oryctolagus cuniculus Kb 1.6 nM 10.1016/S0960-894X(01)81229-4
Oryctolagus cuniculus Oryctolagus cuniculus Kb 2.7 nM 10.1021/jm00363a002
Rattus norvegicus Adrenergic receptor alpha Ratio 1288.0 None 10.1021/jm00121a011
Rattus norvegicus Adrenergic receptor alpha Ratio 25421.0 None 10.1021/jm00067a017
Rattus norvegicus Adrenergic receptor alpha Selectivity 0.003 None 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha Selectivity index 2.42 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha Selectivity index 3.94 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 Decrease in Bmax 0.0 % 10.1021/jm00121a020
Rattus norvegicus Adrenergic receptor alpha-1 ED50 0.04 mg.kg-1 10.1021/jm00020a020
Rattus norvegicus Adrenergic receptor alpha-1 GTP shift 1.2 None 10.1021/jm0307842
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.1622 nM 10.1021/jm00121a020
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.25 nM 10.1016/j.bmc.2016.03.006
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.25 nM 10.1016/j.bmc.2016.11.014
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.36 nM 10.1021/jm00120a003
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.44 nM 10.1021/jm00006a013
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.52 nM 10.1016/j.bmc.2010.07.034
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.58 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 IC50 0.6 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 IC50 1.4 nM 10.1021/jm960087s
Rattus norvegicus Adrenergic receptor alpha-1 IC50 1.4 nM 10.1021/jm9604538
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.01023 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.04169 nM 10.1016/0960-894X(95)00092-8
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.3548 nM 10.1016/j.ejmech.2008.09.001
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.4365 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.5012 nM 10.1021/jm980285e
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.5754 nM 10.1021/jm00127a037
Rattus norvegicus Adrenergic receptor alpha-1 Kd 0.7727 nM 10.1016/j.bmcl.2010.12.080
Rattus norvegicus Adrenergic receptor alpha-1 Kd 1.514 nM 10.1016/j.bmcl.2005.05.003
Rattus norvegicus Adrenergic receptor alpha-1 Kd 1.82 nM 10.1021/jm00378a001
Rattus norvegicus Adrenergic receptor alpha-1 Kd 1.995 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-1 Kd 2.884 nM 10.1021/jm00058a005
Rattus norvegicus Adrenergic receptor alpha-1 Kd 2.884 nM 10.1021/jm00121a011
Rattus norvegicus Adrenergic receptor alpha-1 Kd 4.571 nM 10.1021/jm00067a017
Rattus norvegicus Adrenergic receptor alpha-1 Kd 4.677 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 Kd 6.607 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Kd 8.318 nM 10.1016/j.bmcl.2013.04.054
Rattus norvegicus Adrenergic receptor alpha-1 Kd 1148.15 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.097 nM 10.1021/jm9707840
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.15 nM 10.1021/jm00398a006
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.16 nM 10.1021/jm00343a015
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00067a017
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00384a009
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00389a007
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00393a019
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00400a025
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.19 nM 10.1021/jm00400a026
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.2 nM 10.1021/jm00043a007
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1016/j.bmc.2010.11.051
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1016/s0960-894x(01)00772-7
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1016/s0960-894x(02)00932-0
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1021/jm010821u
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1021/jm011077g
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.24 nM 10.1021/jm0307842
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.26 nM 10.1021/jm011077g
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.26 nM 10.1021/jm0307842
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.29 nM 10.1021/jm020938y
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.3 nM 10.1016/S0960-894X(01)81229-4
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.302 nM 10.1016/j.bmc.2015.03.009
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.32 nM 10.1021/jm011077g
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.32 nM 10.1021/jm0307842
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.32 nM 10.1021/jm990578n
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.6026 nM 10.1021/jm00360a013
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.74 nM 10.1021/jm010821u
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.74 nM 10.1021/jm981006q
Rattus norvegicus Adrenergic receptor alpha-1 Ki 0.7413 nM 10.1021/jm960510x
Rattus norvegicus Adrenergic receptor alpha-1 Ratio 1258.9 None 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-1 Reduction 29.0 % 10.1021/jm00389a007
Rattus norvegicus Adrenergic receptor alpha-1 Reduction 33.0 % 10.1021/jm00389a007
Rattus norvegicus Adrenergic receptor alpha-2 IC50 8.0 nM 10.1021/jm00147a003
Rattus norvegicus Adrenergic receptor alpha-2 IC50 140.0 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-2 IC50 1000.0 nM 10.1021/jm00147a003
Rattus norvegicus Adrenergic receptor alpha-2 IC50 5000.0 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 Kd 1.096 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Kd 144.54 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Kd 724.44 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Kd 1230.27 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 Kd 1548.82 nM 10.1021/jm00378a001
Rattus norvegicus Adrenergic receptor alpha-2 Kd 2511.89 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-2 Kd 3715.35 nM 10.1021/jm00058a005
Rattus norvegicus Adrenergic receptor alpha-2 Kd 3715.35 nM 10.1021/jm00121a011
Rattus norvegicus Adrenergic receptor alpha-2 Kd 3715.35 nM 10.1021/jm9810654
Rattus norvegicus Adrenergic receptor alpha-2 Kd 10000.0 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Ki 0.4 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Ki 5.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 46.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 51.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 53.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 147.91 nM 10.1021/jm960510x
Rattus norvegicus Adrenergic receptor alpha-2 Ki 158.49 nM 10.1016/s0960-894x(98)00217-0
Rattus norvegicus Adrenergic receptor alpha-2 Ki 158.49 nM 10.1021/jm9810654
Rattus norvegicus Adrenergic receptor alpha-2 Ki 457.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 645.65 nM 10.1021/jm00360a013
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1000.0 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1800.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1800.0 nM 10.1021/jm00343a015
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1900.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 2065.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4500.0 nM 10.1021/jm00354a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00067a017
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00384a009
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00389a007
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00393a019
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00398a006
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00400a025
Rattus norvegicus Adrenergic receptor alpha-2 Ki 4830.0 nM 10.1021/jm00400a026
Rattus norvegicus Adrenergic receptor alpha-2 Ki nan None 10.1021/jm0307842
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 0.218 nM None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 0.69 nM 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1a adrenergic receptor Inhibition 5.0 % 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1a adrenergic receptor Kd 0.1549 nM 10.1021/jm00025a012
Rattus norvegicus Alpha-1a adrenergic receptor Kd 1.047 nM 10.1021/jm049153d
Rattus norvegicus Alpha-1a adrenergic receptor Kd 2.512 nM 10.1016/s0960-894x(98)00217-0
Rattus norvegicus Alpha-1a adrenergic receptor Kd 2.512 nM 10.1021/jm9810654
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.07 nM 10.1021/jm990277d
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.088 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.23 nM 10.1016/j.bmcl.2006.05.002
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.28 nM 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.3 nM 10.1021/jm980053f
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.9333 nM 10.1021/jm960510x
Rattus norvegicus Alpha-1a adrenergic receptor Ki 1.05 nM 10.1021/jm970740r
Rattus norvegicus Alpha-1a adrenergic receptor pKb 8.99 None 10.1021/jm000995w
Rattus norvegicus Alpha-1a adrenergic receptor pKB 8.93 None 10.1021/jm030952q
Rattus norvegicus Alpha-1b adrenergic receptor IC50 0.178 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 0.27 nM 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1b adrenergic receptor IC50 0.8511 nM 10.1016/j.ejmech.2011.04.032
Rattus norvegicus Alpha-1b adrenergic receptor Inhibition 11.0 % 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1b adrenergic receptor Kd 0.9772 nM 10.1021/jm049153d
Rattus norvegicus Alpha-1b adrenergic receptor Kd 1.023 nM 10.1016/s0960-894x(98)00217-0
Rattus norvegicus Alpha-1b adrenergic receptor Kd 1.023 nM 10.1021/jm9810654
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.099 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.1 nM 10.1016/j.bmcl.2006.05.002
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.15 nM 10.1016/j.bmcl.2013.01.025
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.15 nM 10.1021/jm990277d
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.2 nM 10.1021/jm980053f
Rattus norvegicus Alpha-1b adrenergic receptor Ki 0.55 nM 10.1016/j.ejmech.2011.04.032
Rattus norvegicus Alpha-1b adrenergic receptor Ki 2.93 nM 10.1021/jm970740r
Rattus norvegicus Alpha-1b adrenergic receptor pKb 8.74 None 10.1021/jm000995w
Rattus norvegicus Alpha-1b adrenergic receptor pKB 9.06 None 10.1021/jm030952q
Rattus norvegicus Alpha-1d adrenergic receptor Kb 0.17 nM 10.1016/j.ejmech.2011.04.032
Rattus norvegicus Alpha-1d adrenergic receptor Kd 0.1698 nM 10.1016/j.ejmech.2011.04.032
Rattus norvegicus Alpha-1d adrenergic receptor Kd 0.9772 nM 10.1021/jm049153d
Rattus norvegicus Alpha-1d adrenergic receptor Kd 1.23 nM 10.1016/s0960-894x(98)00217-0
Rattus norvegicus Alpha-1d adrenergic receptor Kd 1.23 nM 10.1021/jm9810654
Rattus norvegicus Alpha-1d adrenergic receptor Kd 1.995 nM 10.1021/jm00370a011
Rattus norvegicus Alpha-1d adrenergic receptor Ki 0.2 nM 10.1021/jm020938y
Rattus norvegicus Alpha-1d adrenergic receptor Ki 0.3 nM 10.1021/jm980053f
Rattus norvegicus Alpha-1d adrenergic receptor Ki 0.79 nM 10.1021/jm00018a001
Rattus norvegicus Alpha-1d adrenergic receptor Ki 1.38 nM 10.1021/jm960510x
Rattus norvegicus Alpha-1d adrenergic receptor pKb 9.71 None 10.1021/jm000995w
Rattus norvegicus Alpha-1d adrenergic receptor pKB 8.93 None 10.1021/jm030952q
Rattus norvegicus Alpha-2a adrenergic receptor Ki 1668.0 nM 10.1021/jm00018a001
Rattus norvegicus Alpha adrenergic receptor 1A and 1B Ratio 2.3 None 10.1016/j.bmcl.2006.05.002
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Aorta Activity 0.0 % 10.1021/np960354x
Rattus norvegicus Aorta Activity 0.0 % 10.1021/np9700735
Rattus norvegicus Aorta Activity 0.0 % 10.1021/np980471n
Rattus norvegicus Aorta Activity 100.0 % 10.1021/np960354x
Rattus norvegicus Aorta IC50 487000.0 nM 10.1016/j.bmc.2011.08.037
Rattus norvegicus Beta casein Ki 0.3631 nM 10.1021/jm960510x
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Dopamine D1 receptor Ki 5600.0 nM 10.1021/jm020938y
Rattus norvegicus Dopamine D2 receptor IC50 11000.0 nM 10.1021/jm00120a003
Rattus norvegicus Dopamine D2 receptor ID50 10.0 mg.kg-1 10.1021/jm00020a020
Rattus norvegicus Dopamine D2 receptor Ki 10000.0 nM 10.1016/s0960-894x(98)00217-0
Rattus norvegicus Dopamine D2 receptor Ki 10000.0 nM 10.1021/jm960510x
Rattus norvegicus Dopamine D2 receptor Ki 10000.0 nM 10.1021/jm9810654
Rattus norvegicus Dopamine D2 receptor Ki nan nM 10.1021/jm9707840
Rattus norvegicus Dopamine D2 receptor NT nan None 10.1021/jm020938y
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 14125.4 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 28183.8 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.06 None 10.1021/jm901371v
Rattus norvegicus Plasma Fu 0.35 None 10.1039/C4MD00148F
Rattus norvegicus Plasma logFu 0.06 None 10.1016/j.ejmech.2009.06.004
Rattus norvegicus Rattus norvegicus Activity -38.8 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -33.3 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -29.2 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -27.7 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -22.22 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -20.8 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -11.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -8.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity -5.1 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity 0.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity 12.9 % 10.1016/j.bmc.2007.03.007
Rattus norvegicus Rattus norvegicus Activity 16.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity 18.0 % 10.1016/j.bmc.2007.03.007
Rattus norvegicus Rattus norvegicus Activity 19.6 % 10.1016/j.bmc.2007.03.007
Rattus norvegicus Rattus norvegicus Activity 24.6 % 10.1016/j.bmc.2007.03.007
Rattus norvegicus Rattus norvegicus Activity 26.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity 30.0 % 10.1016/j.ejmech.2010.08.064
Rattus norvegicus Rattus norvegicus Activity 30.2 % 10.1016/j.bmc.2007.03.007
Rattus norvegicus Rattus norvegicus Activity 31.4 mmHg 10.1021/np50104a019
Rattus norvegicus Rattus norvegicus Activity nan None 10.1007/s00044-011-9935-3
Rattus norvegicus Rattus norvegicus Activity rating nan None 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus ALB 38000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 286.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 290.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 336.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 346.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 352.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 505.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 59.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 63.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 74.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 89.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 106.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 108.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 131.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 139.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 173.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 180.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 183.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Change -100.0 % 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus Change 0.0 % 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus CHLORIDE 100.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 646.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 668.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 683.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 728.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 730.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 271.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 417.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 788.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 877.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 1202.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 1224.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 21330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 21670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Decrease in MABP 35.0 % 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus Decrease in MABP 46.0 % 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus Decrease in MABP 49.0 % 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus Decrease in SBP 19.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Decrease in SBP 21.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Decrease in SBP 26.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Decrease in SBP 26.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 29.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 30.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 31.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Decrease in SBP 34.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 36.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Decrease in SBP 36.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 38.0 mmHg 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus Decrease in SBP 46.0 % 10.1021/jm00360a013
Rattus norvegicus Rattus norvegicus Delta blood pressure 13.7 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta blood pressure 40.0 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta blood pressure 41.2 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta blood pressure 48.2 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta blood pressure 56.2 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta blood pressure 76.2 None 10.1021/jm00144a017
Rattus norvegicus Rattus norvegicus Delta p 30.0 % 10.1021/jm00145a015
Rattus norvegicus Rattus norvegicus Delta SBP -60.0 mmHg 10.1021/jm00117a019
Rattus norvegicus Rattus norvegicus ED30 0.01 uM kg-1 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus ED30 0.03 uM kg-1 10.1021/jm00364a014
Rattus norvegicus Rattus norvegicus ED40 9.4 ug kg-1 10.1021/jm00400a009
Rattus norvegicus Rattus norvegicus ED40 5437.0 ug kg-1 10.1021/jm00400a009
Rattus norvegicus Rattus norvegicus ED50 0.0095 umol.kg-1 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus ED50 0.0104 mg.kg-1 10.1021/jm00117a019
Rattus norvegicus Rattus norvegicus ED50 0.22 mg.kg-1 10.1021/jm00117a019
Rattus norvegicus Rattus norvegicus ED50 0.45 umol.kg-1 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus ED50 12.0 umol.kg-1 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 69.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 93.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 118.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 171.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 228.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Fall 19.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus Fall 21.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus Fall 26.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus Fall 31.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus Fall 36.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus Fall 46.0 % 10.1021/jm00364a013
Rattus norvegicus Rattus norvegicus GLUC 1286.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1316.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1505.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1516.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1520.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1530.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.98 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.75 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 132200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HR nan None 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus IC50 3000.0 nM 10.1021/jm00126a042
Rattus norvegicus Rattus norvegicus IC50 39810.72 nM 10.1021/jm00159a017
Rattus norvegicus Rattus norvegicus IC50 44668.36 nM 10.1021/jm00159a017
Rattus norvegicus Rattus norvegicus IC50 nan nM 10.1021/jm00025a012
Rattus norvegicus Rattus norvegicus Increase in blood pressure 18.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 23.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 26.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 30.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 31.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 32.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 45.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 49.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Increase in blood pressure 67.0 mmHg 10.1021/jm00400a003
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmcl.2013.04.054
Rattus norvegicus Rattus norvegicus Kb 1000.0 nM 10.1016/S0960-894X(01)81229-4
Rattus norvegicus Rattus norvegicus Kd 10.0 nM 10.1016/j.bmc.2008.02.091
Rattus norvegicus Rattus norvegicus Ki 0.13 None 10.1021/jm00145a015
Rattus norvegicus Rattus norvegicus Ki 11572.0 nM 10.1021/jm00159a017
Rattus norvegicus Rattus norvegicus Ki 19905.0 nM 10.1021/jm00159a017
Rattus norvegicus Rattus norvegicus LDH 177.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 204.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 254.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 517.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 643.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 982.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7483.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9169.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11545.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13015.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13632.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13776.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Max delta MABP -45.0 mmHg 10.1021/jm00147a003
Rattus norvegicus Rattus norvegicus MCH 23.83 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.95 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.47 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.6 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.83 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.48 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.67 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 100.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 136.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 139.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 180.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 208.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 630.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 856.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1121.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1224.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1225.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1690.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 104.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 123.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1196000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1205670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1245000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1248330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1342000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1384670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.14 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.65 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 53000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 53700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Ratio 0.0008 None 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus RBC 5180000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5520000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5540000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5560000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5580000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Reduction -32.0 % 10.1021/jm00120a003
Rattus norvegicus Rattus norvegicus Reduction 15.0 % 10.1021/jm00400a025
Rattus norvegicus Rattus norvegicus Reduction 15.0 % 10.1021/jm00400a026
Rattus norvegicus Rattus norvegicus Reduction 24.0 % 10.1021/jm00400a025
Rattus norvegicus Rattus norvegicus Reduction 24.0 % 10.1021/jm00400a026
Rattus norvegicus Rattus norvegicus Reduction 29.0 % 10.1021/jm00384a009
Rattus norvegicus Rattus norvegicus Reduction 29.0 % 10.1021/jm00393a019
Rattus norvegicus Rattus norvegicus Reduction 29.0 % 10.1021/jm00398a006
Rattus norvegicus Rattus norvegicus Reduction 33.0 % 10.1021/jm00384a009
Rattus norvegicus Rattus norvegicus Reduction 33.0 % 10.1021/jm00393a019
Rattus norvegicus Rattus norvegicus Reduction 33.0 % 10.1021/jm00398a006
Rattus norvegicus Rattus norvegicus Reduction 38.5 % 10.1021/jm00121a011
Rattus norvegicus Rattus norvegicus SODIUM 141.02 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.25 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.62 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus TIME 0.5 hr 10.1021/jm00117a019
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 11.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Vasopressor responses nan None 10.1021/jm00385a022
Rattus norvegicus Rattus norvegicus WBC 8530.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13600.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14570.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15070.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15250.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 2344.23 nM 10.1021/jm960510x
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 2360.0 nM 10.1021/jm981006q
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan nM 10.1021/jm9707840
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None 10.1021/jm0307842
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Serotonin 2 (5-HT2) receptor IC50 42000.0 nM 10.1021/jm00120a003
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 1500.0 nM 10.1021/jm020938y
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 4200.0 nM 10.1021/jm020938y
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 21192.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 28183.8 nM None
Rattus norvegicus Voltage-gated L-type calcium channel Ki 10000.0 nM 10.1021/jm00010a001
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 7.68 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.07667 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.08 % 10.6019/CHEMBL4495565
Sus scrofa Alpha-2a adrenergic receptor Ki 4100.0 nM 10.1021/jm00018a001
Sus scrofa LLC-PK1 Ratio 2.9 None 10.1021/ml300314h
Sus scrofa Malate dehydrogenase mitochondrial Inhibition 14.0 % 10.1021/jm030191r
Trypanosoma cruzi Trypanosoma cruzi EC50 12000.0 nM 10.1128/aac.01777-09
None ADMET B(DPB) 46.4 % 10.1021/jm040760a
None ADMET Binding energy 13.1 kCal mol-1 10.1021/jm00378a021
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CL 4.7 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 5.37 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 12.02 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET Cp 40.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 11.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 33.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 100.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 180.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 640.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET delta logD -0.25 None 10.1021/jm0000564
None ADMET EC50 16000.0 nM 10.1128/aac.01777-09
None ADMET F 79.0 % 10.1021/jm0000564
None ADMET Fu 0.034 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.052 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0797 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.104 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.163 None 10.1021/acs.jmedchem.0c02011
None ADMET Fu 0.195 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.264 None 10.1021/acs.jmedchem.0c02011
None ADMET Fu 0.294 None 10.1016/j.ejmech.2019.111813
None ADMET K(p,uu,brain) 0.059 None 10.1016/j.ejmech.2019.111813
None ADMET K(p,uu,brain) 0.11 None 10.1016/j.ejmech.2019.111813
None ADMET K(p,uu,brain) 0.164 None 10.1021/acs.jmedchem.0c02011
None ADMET MRT 2.6 hr 10.1124/dmd.108.020479
None ADMET Papp 3.92 ucm/s 10.1124/dmd.112.045666
None ADMET Papp 6.2 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 6.7 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 6.85 10^-6 cm/s 10.1016/j.ejmech.2021.113630
None ADMET Papp 8.0 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 8.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 11.1 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 12.95 10^-6 cm/s 10.1016/j.ejmech.2021.113630
None ADMET Papp 13.2 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 14.0 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 19.94 10'-6 cm/s 10.1021/acs.jmedchem.8b01957
None ADMET Papp 21.0 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 26.0 10'-6 cm/s 10.1016/j.ejmech.2019.111813
None ADMET Papp 27.62 ucm/s 10.1016/j.ejmech.2018.10.061
None ADMET Papp 41.1 ucm/s 10.1124/dmd.112.045666
None ADMET Papp 48.58 ucm/s 10.1016/j.ejmech.2018.10.061
None ADMET PPB 78.41 % 10.6019/CHEMBL3301361
None ADMET PPB 96.0 % 10.6019/CHEMBL3301361
None ADMET Ratio -2.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.247 None 10.1021/acs.jmedchem.0c02011
None ADMET Ratio 0.68 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 1.2 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 1.2 None 10.1124/dmd.110.034629
None ADMET Ratio 1.6 None 10.1124/dmd.110.034629
None ADMET Ratio 1.7 None 10.1124/dmd.110.034629
None ADMET Ratio 1.8 None 10.1124/dmd.110.034629
None ADMET Ratio 1.9 None 10.1016/j.ejmech.2021.113630
None ADMET Ratio 2.4 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 2.8 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 9.0 None 10.1124/dmd.110.034629
None ADMET Ratio 10.0 None 10.1124/dmd.112.050260
None ADMET Ratio 10.5 None 10.1124/dmd.112.045666
None ADMET Ratio 19.0 None 10.1124/dmd.110.034629
None ADMET Ratio 24.0 None 10.1124/dmd.110.034629
None ADMET Ratio 28.0 None 10.1124/dmd.110.034629
None ADMET Ratio 30.0 None 10.1124/dmd.110.034629
None ADMET Ratio 34.0 None 10.1124/dmd.110.034629
None ADMET Ratio 47.0 None 10.1124/dmd.110.034629
None ADMET T1/2 2.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.73 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports nan None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.06 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.2 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target LogD 1.04 None 10.1021/jm0000564
None No relevant target LogD7.4 0.79 None 10.1021/jm040760a
None No relevant target LogD7.4 1.9 None 10.6019/CHEMBL3301361
None No relevant target pKa 6.5 None 10.1016/j.ejmech.2009.06.004
None No relevant target pKa 6.5 None 10.1021/jm0000564
None No relevant target pKa 6.5 None 10.1021/jm040760a
None No relevant target pKa 6.8 None 10.1021/jm00400a026
None No relevant target pKa 7.0 None 10.1016/j.bmc.2007.02.026
None No relevant target Solubility 14800.0 nM 10.6019/CHEMBL3301361
None No relevant target Solubility 62800.0 nM 10.1016/j.ejmech.2020.112944
None Unchecked Ac50 1.0 uM None
None Unchecked Ac50 12.59 uM None
None Unchecked Ac50 14.13 uM None
None Unchecked Ac50 15.85 uM None
None Unchecked Ac50 17.78 uM None
None Unchecked AC50 1000.0 nM None
None Unchecked AC50 12589.3 nM None
None Unchecked AC50 12590.0 nM None
None Unchecked AC50 14125.4 nM None
None Unchecked AC50 15848.9 nM None
None Unchecked AC50 17782.8 nM None
None Unchecked Activity 126.8 % 10.1016/j.bmc.2008.06.037
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 0.68 nM 10.1021/jm8007618
None Unchecked IC50 1.6 nM 10.1021/jm701575k
None Unchecked IC50 7.8 nM 10.1016/j.bmc.2008.03.036
None Unchecked IC50 949.0 nM None
None Unchecked IC50 1900.0 nM 10.1016/j.ejmech.2020.113016
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 10997.7 nM None
None Unchecked IC50 13000.0 nM 10.1021/jm00125a021
None Unchecked IC50 20000.0 nM None
None Unchecked IC50 nan None None
None Unchecked Kb 1.0 nM 10.1016/j.bmc.2008.02.091
None Unchecked Kb 2.0 nM 10.1016/j.bmc.2008.02.091
None Unchecked Kd 5.495 nM 10.1016/j.bmcl.2013.04.054
None Unchecked Ki 0.071 nM 10.1021/jm2006782
None Unchecked Ki 0.18 nM 10.1021/jm8007618
None Unchecked Ki 0.24 nM 10.1016/j.bmc.2008.04.058
None Unchecked Ki 0.24 nM 10.1016/j.bmcl.2008.07.084
None Unchecked Ki 0.32 nM 10.1016/j.bmc.2008.02.091
None Unchecked Ki 633.0 nM None
None Unchecked Ki 1000.0 nM 10.1016/S0960-894X(01)81229-4
None Unchecked Ki nan None None
None Unchecked logIC50 1.33 None 10.1016/j.bmc.2013.11.049
None Unchecked pK 9.49 None 10.1021/jm0408969
None Unchecked pK 9.6 None 10.1021/jm0408969
None Unchecked pK 9.7 None 10.1021/jm0408969
None Unchecked Potency 2818.4 nM None
None Unchecked Potency 3264.3 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 11577.4 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 15848.9 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 1.0 None 10.1016/s0960-894x(99)00484-9
None Unchecked Ratio 1.0 None 10.1021/jm980506g
None Unchecked Ratio 3190.0 None 10.1021/jm981006q
None Unchecked Ratio EC50 1.3 None 10.1128/aac.01777-09
None Unchecked SC50 25.0 uM 10.1021/jm00163a056
None Unchecked Selectivity ratio 0.02 None 10.1039/C7MD00629B
None Unchecked Selectivity ratio 0.1 None 10.1039/C7MD00629B
None Unchecked Selectivity ratio 6.0 None 10.1039/C7MD00629B
None Unchecked Selectivity ratio 1300.0 None 10.1021/jm00058a005

Metabolism Information