Navigation

name Structure Reference Source Properties Activities Metabolism

(Z)-3-[(Z)-[hydroxy(3-{[(E)-{3-[(E)-{2-methyl-5-[(E)-(4,6,8-trisulfonaphthalen-1-yl)-C-hydroxycarbonimidoyl]phenyl}-C-hydroxycarbonimidoyl]phenyl}-C-hydroxycarbonimidoyl]amino}phenyl)methylidene]amino]-4-methyl-N-(4,6,8-trisulfonaphthalen-1-yl)benzene-1-carboximidic acid

AlkaPlorer ID: AK105077

Synonym: None

IUPAC Name: 3-[[hydroxy-[3-[[C-hydroxy-N-[3-[C-hydroxy-N-[5-[C-hydroxy-N-(4,6,8-trisulfonaphthalen-1-yl)carbonimidoyl]-2-methylphenyl]carbonimidoyl]phenyl]carbonimidoyl]amino]phenyl]methylidene]amino]-4-methyl-N-(4,6,8-trisulfonaphthalen-1-yl)benzenecarboximidic acid

Structure

SMILES: CC1=CC=C(C(O)=NC2=CC=C(S(=O)(=O)O)C3=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C23)C=C1N=C(O)C1=CC(N=C(O)NC2=CC(C(O)=NC3=CC(C(O)=NC4=CC=C(S(=O)(=O)O)C5=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C45)=CC=C3C)=CC=C2)=CC=C1

copy

InChI: InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)

copy

InChIKey: FIAFUQMPZJWCLV-UHFFFAOYSA-N

copy

Reference

PubChem CID: 135973538

CAS: 129-46-4

NPASS: NPC488871

COCONUT: CNP0340469

Source

Species Genus Family Order Class Phylum Kingdom Domain
Strychnos spinosa Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1297.302

TPSA？: 501.2

MolLogP？: 8.292840000000004

Number of H-Donors: 12

Number of H-Acceptors: 17

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 10.42 % 10.6019/CHEMBL4513149
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 19952.6 nM None
Bacillus subtilis (strain 168) DNA polymerase III Potency 7519.3 nM None
Candida albicans Candida albicans Inhibition 39.24 % 10.6019/CHEMBL4513149
Cavia porcellus Cavia porcellus ED50 603.0 ug ml-1 10.1021/jm00177a006
Cavia porcellus Cavia porcellus Inhibition 44.0 % 10.1021/jm00177a006
Chlorocebus sabaeus Vero IC50 nan None 10.1016/j.bmc.2007.06.042
Chlorocebus sabaeus Vero IC50 nan None 10.1021/np049682k
Chlorocebus sabaeus Vero IC50 nan None 10.1021/np0502600
Chlorocebus sabaeus Vero IC50 nan None 10.1021/np0702281
Chlorocebus sabaeus Vero IC50 nan None 10.1021/np300638f
Cryptococcus neoformans Cryptococcus neoformans Inhibition 2.45 % 10.6019/CHEMBL4513149
Dengue virus Dengue virus Kd 40.0 nM 10.1021/jm000412i
Dengue virus Dengue virus k_off 0.04 s-1 10.1021/jm000412i
Dengue virus Dengue virus k_on 1000000.0 M-1.s-1 10.1021/jm000412i
Emericella nidulans RmtA IC50 5900.0 nM 10.1021/jm061213n
Escherichia coli Escherichia coli Inhibition 7.96 % 10.6019/CHEMBL4513149
Homo sapiens 786-0 GI50 74644.88 nM None
Homo sapiens A498 GI50 84333.48 nM None
Homo sapiens A549 GI50 56363.77 nM None
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ACHN GI50 97949.0 nM None
Homo sapiens Adenosine A3 receptor AC50 8565.1 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-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 12589.3 nM None
Homo sapiens ATH-8 cell line MIC 35000.0 nM 10.1021/jm00159a001
Homo sapiens ATH-8 cell line SI 5.0 None 10.1021/jm00159a001
Homo sapiens ATP-dependent DNA helicase Q1 Potency 2511.9 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 19952.6 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 39810.7 nM None
Homo sapiens Autotaxin Inhibition 27.0 % 10.1021/jm901718z
Homo sapiens Beta-glucocerebrosidase Potency 22387.2 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 31622.8 nM None
Homo sapiens BT-549 GI50 95719.41 nM None
Homo sapiens CAKI-1 GI50 73451.39 nM None
Homo sapiens Cathepsin B IC50 30000.0 nM 10.1021/jm070760l
Homo sapiens Cathepsin B Inhibition nan % 10.1021/jm900629w
Homo sapiens Cathepsin B Ki nan None 10.1021/jm900629w
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens Chromobox protein homolog 1 Potency 1995.3 nM None
Homo sapiens COLO 205 GI50 72945.75 nM None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 39810.72 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DLD-1 GI50 97498.96 nM None
Homo sapiens DMS-114 GI50 28575.91 nM None
Homo sapiens DMS-273 GI50 39810.72 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 14125.4 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 28183.8 nM None
Homo sapiens DNA-dependent protein kinase IC50 1700.0 nM 10.1021/jm020427b
Homo sapiens DNA polymerase iota Potency 1122.0 nM None
Homo sapiens DNA polymerase kappa Potency 31.6 nM None
Homo sapiens DNA polymerase kappa Potency 89.1 nM None
Homo sapiens DNA polymerase kappa Potency 266.8 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 8 Ki 100000.0 nM 10.1021/jm800175e
Homo sapiens EKVX GI50 69502.43 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 7943.3 nM None
Homo sapiens Estrogen receptor alpha AC50 26482.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Flap endonuclease 1 Potency 335.9 nM None
Homo sapiens Flap endonuclease 1 Potency 1258.9 nM None
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 2009.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 8912.5 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 76032.63 nM None
Homo sapiens HCT-116 IC50 nan ug.mL-1 10.1016/s0960-894x(02)00392-x
Homo sapiens HCT-116 Inhibition nan % 10.1016/s0960-894x(02)00392-x
Homo sapiens HCT-15 GI50 90782.05 nM None
Homo sapiens HEK293 Activity nan None 10.1016/j.bmcl.2012.03.030
Homo sapiens HEK293 Potency 4448.8 nM None
Homo sapiens HEK293 Potency 8876.6 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 19040.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 25118.9 nM None
Homo sapiens Histone deacetylase 6 Inhibition 2.21 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 32.32 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 281.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 1412.5 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 14125.4 nM None
Homo sapiens HL-60 GI50 49431.07 nM None
Homo sapiens Homo sapiens CL 0.0011 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 0.0057 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 0.0057 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.0046 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Fa 0.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens IC50 nan nM 10.1016/j.bmcl.2004.05.026
Homo sapiens Homo sapiens Inhibition nan % 10.1016/j.bmcl.2004.05.026
Homo sapiens Homo sapiens Vdss 0.54 L.kg-1 10.1021/jm901371v
Homo sapiens HOP-18 GI50 52360.04 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 54450.27 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 62373.48 nM None
Homo sapiens HT-29 IC50 nan None 10.1016/j.bmcl.2015.05.015
Homo sapiens HUVEC IC50 500000.0 nM 10.1016/j.ejmech.2011.11.040
Homo sapiens HUVEC IC50 500000.0 nM 10.1016/s0960-894x(01)00535-2
Homo sapiens IGROV-1 GI50 69342.58 nM None
Homo sapiens K562 GI50 93540.57 nM None
Homo sapiens K562 IC50 18490.0 nM 10.1016/j.bmcl.2012.03.030
Homo sapiens KM12 GI50 67452.8 nM None
Homo sapiens KM-20L2 GI50 34593.94 nM None
Homo sapiens LOX IMVI GI50 51050.5 nM None
Homo sapiens LXFL 529 GI50 100000.0 nM None
Homo sapiens M14 GI50 74816.95 nM None
Homo sapiens M19-MEL GI50 59703.53 nM None
Homo sapiens Malme-3M GI50 82985.08 nM None
Homo sapiens MCF7 GI 32.0 % 10.1016/j.bmcl.2012.08.017
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmcl.2015.05.015
Homo sapiens MDA-MB-231 GI 26.0 % 10.1016/j.bmcl.2012.08.017
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 IC50 31190.0 nM 10.1016/j.bmcl.2012.03.030
Homo sapiens MDA-MB-231 IC50 nan None 10.1016/j.bmcl.2015.05.015
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 7079.5 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 25118.9 nM None
Homo sapiens MOLT-4 GI50 79983.43 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 1888.8 nM None
Homo sapiens MRC5 IC50 100.0 ug.mL-1 10.1016/j.bmc.2008.10.061
Homo sapiens MRC5 IC50 100.0 ug.mL-1 10.1016/j.bmcl.2013.12.052
Homo sapiens MRC5 IC50 nan nM 10.1016/j.bmcl.2004.05.026
Homo sapiens MT4 CC50 47000.0 nM 10.1021/jm00066a008
Homo sapiens MT4 CC50 250000.0 nM 10.1021/jm00104a010
Homo sapiens MT4 EC50 8000.0 nM 10.1021/jm00066a008
Homo sapiens MT4 EC50 8200.0 nM 10.1021/jm00104a010
Homo sapiens Mu opioid receptor AC50 30000.0 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 M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens NAD-dependent deacetylase sirtuin 1 Activity 18.0 % 10.1016/j.ejmech.2012.07.001
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 300.0 nM 10.1021/jm400204k
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 300.0 nM 10.1021/ml3002709
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 300.0 nM 10.1039/C0MD00062K
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 600.0 nM 10.1016/j.bmc.2009.07.073
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 2600.0 nM 10.1016/j.bmcl.2012.08.017
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 2620.0 nM None
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 2800.0 nM 10.1016/j.bmcl.2012.03.030
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 2800.0 nM 10.1016/j.bmcl.2015.05.015
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 53.9 % 10.1016/j.bmcl.2012.03.030
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 79.0 % 10.1016/j.bmcl.2012.06.003
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 82.3 % 10.1016/j.bmcl.2012.08.017
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition nan % 10.1016/j.bmc.2010.12.026
Homo sapiens NAD-dependent deacetylase sirtuin 2 Activity 20.0 % 10.1016/j.ejmech.2012.07.001
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 1100.0 nM 10.1021/ml3002709
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 1200.0 nM 10.1021/jm400204k
Homo sapiens NAD-dependent deacetylase sirtuin 3 Activity nan None 10.1016/j.ejmech.2012.07.001
Homo sapiens NAD-dependent deacetylase sirtuin 3 IC50 nan None 10.1021/ml3002709
Homo sapiens NAD-dependent deacetylase sirtuin 3 Inhibition nan % 10.1016/j.ejmech.2012.07.001
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 2000.0 nM 10.1016/j.bmcl.2015.03.018
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 3000.0 nM 10.1016/j.bmcl.2015.03.018
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 14200.0 nM 10.1016/j.bmcl.2012.10.136
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 22000.0 nM 10.1016/j.bmcl.2015.03.018
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 25000.0 nM 10.1016/j.bmcl.2015.03.018
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 25000.0 nM 10.1021/ml3002709
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 27000.0 nM 10.1021/jm300526r
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 46600.0 nM 10.1021/ml3002709
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial Inhibition 20.0 % 10.1016/j.bmcl.2012.10.136
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial Inhibition nan % 10.1016/j.bmcl.2012.10.136
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial Inhibition nan % 10.1016/j.bmcl.2015.03.018
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 63826.35 nM None
Homo sapiens NCI-H23 GI50 68865.23 nM None
Homo sapiens NCI-H322M GI50 61376.2 nM None
Homo sapiens NCI-H460 GI50 80537.84 nM None
Homo sapiens NCI-H522 GI50 88511.56 nM None
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 4109.5 nM None
Homo sapiens OVCAR-3 GI50 93325.43 nM None
Homo sapiens OVCAR-4 GI50 79250.13 nM None
Homo sapiens OVCAR-5 GI50 50582.47 nM None
Homo sapiens OVCAR-8 GI50 74816.95 nM None
Homo sapiens P2X purinoceptor 3 EC50 3000.0 nM 10.1021/jm020046y
Homo sapiens P2X purinoceptor 3 EC50 14900.0 nM 10.1021/jm020046y
Homo sapiens P2X purinoceptor 7 EC50 92000.0 nM 10.1021/jm020046y
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens PC-3 IC50 nan nM 10.1021/jm0304461
Homo sapiens PC-3 IC50 nan None 10.1021/np0502600
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 425.6 nM 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 Plasma PPB 99.4 % 10.1128/aac.00372-07
Homo sapiens Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Pregnane X receptor Activity nan None 10.1124/dmd.110.035105
Homo sapiens Pregnane X receptor EC50 1300.0 nM 10.1124/dmd.110.035105
Homo sapiens Pregnane X receptor Efficacy 66.0 % 10.1124/dmd.110.035105
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 5330.0 nM 10.1021/jm100416n
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 18100.0 nM 10.1021/jm061213n
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 1011000.0 nM 10.1021/jm100416n
Homo sapiens Protein kinase C (PKC) IC50 29000.0 nM 10.1021/jm020427b
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 20.0 % 10.1007/s00044-012-0007-0
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 20.0 % 10.1007/s00044-012-0165-0
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 60.0 % 10.1039/C3MD00138E
Homo sapiens Purinergic receptor P2Y1 Inhibition 54.5 % 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y1 Inhibition 59.3 % 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 EC50 16000.0 nM 10.1021/jm020046y
Homo sapiens Purinergic receptor P2Y11 Inhibition 89.5 % 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 Inhibition 93.7 % 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 Ki 112.2 nM 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 Ki 302.0 nM 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 Rel potency 15.0 None 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y11 Rel potency 40.0 None 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y2 EC50 48000.0 nM 10.1021/jm020046y
Homo sapiens Purinergic receptor P2Y2 IC50 50000.0 nM 10.1021/jm800175e
Homo sapiens Purinergic receptor P2Y2 Inhibition 31.6 % 10.1021/jm050301p
Homo sapiens Purinergic receptor P2Y2 Inhibition 50.5 % 10.1021/jm050301p
Homo sapiens Pyrimidinergic receptor P2Y4 Activity nan None 10.1021/jm800175e
Homo sapiens Pyrimidinergic receptor P2Y4 EC50 100000.0 nM 10.1021/jm020046y
Homo sapiens Pyrimidinergic receptor P2Y6 IC50 27000.0 nM 10.1021/jm800175e
Homo sapiens Pyrimidinergic receptor P2Y6 Inhibition 27.0 % 10.1021/jm020046y
Homo sapiens Pyruvate kinase isozymes M1/M2 IC50 20000.0 nM 10.1039/D1MD00045D
Homo sapiens Pyruvate kinase isozymes M1/M2 IC50 33000.0 nM 10.1039/D1MD00045D
Homo sapiens Pyruvate kinase isozymes M1/M2 Ki 10000.0 nM 10.1039/D1MD00045D
Homo sapiens Pyruvate kinase isozymes M1/M2 Ki 16500.0 nM 10.1039/D1MD00045D
Homo sapiens Pyruvate kinase isozymes R/L IC50 2200.0 nM 10.1039/D1MD00045D
Homo sapiens Pyruvate kinase isozymes R/L Ki 1100.0 nM 10.1039/D1MD00045D
Homo sapiens Regulator of G-protein signaling 4 Potency 7.5 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 37685.8 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 7943.3 nM None
Homo sapiens RXF 393 GI50 92682.98 nM None
Homo sapiens RXF 631 GI50 100000.0 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 9130.4 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 transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens SF-268 GI50 66221.65 nM None
Homo sapiens SF-295 GI50 69023.98 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 58884.37 nM None
Homo sapiens SK-MEL-28 GI50 91622.05 nM None
Homo sapiens SK-MEL-5 GI50 84722.74 nM None
Homo sapiens SK-OV-3 GI50 88104.89 nM None
Homo sapiens SN12C GI50 80909.59 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 48194.78 nM None
Homo sapiens SNB-78 GI50 71285.3 nM None
Homo sapiens SR GI50 69342.58 nM None
Homo sapiens SW-620 GI50 89330.55 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens TK-10 GI50 31988.95 nM None
Homo sapiens Tumor susceptibility gene 101 protein Potency 56234.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 891.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2511.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 4466.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 11220.2 nM None
Homo sapiens U-251 GI50 77268.06 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 54575.79 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 5011.9 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 7943.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 14125.4 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 3288.5 nM None
Homo sapiens UO-31 GI50 39355.01 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 1551.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 22387.2 nM None
Homo sapiens Vitamin D receptor Potency 35481.3 nM None
Homo sapiens Vitamin D receptor Potency 39810.7 nM None
Homo sapiens WI-38 IC50 nan None 10.1016/j.ejmech.2013.06.004
Homo sapiens XF498 GI50 26977.39 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Inhibition 83.0 % 10.1021/jm00105a033
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 18.0 ug.mL-1 10.1021/np50073a012
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 18.0 ug.mL-1 10.1021/np9700275
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 9400.0 nM 10.1021/jm00104a010
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 15000.0 nM 10.1021/jm00104a010
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase ID50 42.0 ug ml-1 10.1021/jm00105a033
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Inhibition 18.0 % 10.1021/jm00105a033
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Inhibition 22.0 % 10.1021/jm00105a033
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Inhibition 92.0 % 10.1021/jm00105a033
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 17.11 % 10.6019/CHEMBL4513149
Leishmania amazonensis Leishmania amazonensis IC50 nan nM 10.1016/j.bmcl.2004.05.026
Leishmania donovani Leishmania donovani Activity nan None 10.1021/np0702281
Leishmania donovani Leishmania donovani IC50 nan nM 10.1021/jm0304461
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2007.06.042
Leishmania donovani Leishmania donovani IC50 nan None 10.1021/np049682k
Leishmania donovani Leishmania donovani IC50 nan None 10.1021/np0502600
Leishmania donovani Leishmania donovani IC50 nan None 10.1021/np0702281
Leishmania donovani Leishmania donovani IC50 nan None 10.1021/np300638f
Leishmania donovani Leishmania donovani Inhibition nan % 10.1021/np0702281
Leishmania infantum Leishmania infantum IC50 nan nM 10.1016/j.bmcl.2004.05.026
Leishmania mexicana mexicana Leishmania mexicana mexicana IC50 nan None 10.1016/j.ejmech.2013.06.004
Litomosoides carinii Litomosoides carinii Reduction 71.0 % 10.1021/jm00373a017
Litomosoides carinii Litomosoides carinii Reduction of live worms 98.0 % 10.1021/jm00363a010
Meleagris gallopavo P2Y purinoceptor 1 EC50 10000.0 nM 10.1021/jm020046y
Mus musculus B16 IC50 nan ug.mL-1 10.1016/s0960-894x(02)00392-x
Mus musculus B16 Inhibition nan % 10.1016/s0960-894x(02)00392-x
Mus musculus J774 IC50 nan nM 10.1021/jm0304461
Mus musculus J774 IC50 nan None 10.1021/np070038q
Mus musculus J774.A1 IC50 nan None 10.1021/np049682k
Mus musculus Mus musculus Activity 25.5 g 10.1016/j.ejmech.2011.11.040
Mus musculus Plasma PPB 97.0 % 10.1128/aac.00372-07
Naegleria gruberi Naegleria gruberi Inhibition 32.0 % 10.6019/CHEMBL4513101
Photinus pyralis Luciferin 4-monooxygenase Potency 11423.9 nM None
Plasmodium falciparum Plasmodium falciparum IC50 nan nM 10.1016/j.bmcl.2004.05.026
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2006.07.057
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2013.06.004
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2015.05.044
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/jm900946n
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/np300638f
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 15.45 % 10.6019/CHEMBL4513149
Rattus norvegicus Ectonucleoside triphosphate diphosphohydrolase 1 Ki 300000.0 nM 10.1016/j.bmcl.2006.09.003
Rattus norvegicus Ectonucleoside triphosphate diphosphohydrolase 1 Ki 300000.0 nM 10.1021/jm800175e
Rattus norvegicus Ectonucleoside triphosphate diphosphohydrolase 2 Ki 65400.0 nM 10.1016/j.bmcl.2006.09.003
Rattus norvegicus Ectonucleoside triphosphate diphosphohydrolase 2 Ki 65400.0 nM 10.1021/jm800175e
Rattus norvegicus Inositol monophosphatase 1 Potency 3162.3 nM None
Rattus norvegicus L6 IC50 4724500.0 nM 10.1016/j.bmcl.2006.07.057
Rattus norvegicus L6 IC50 4725000.0 nM 10.1016/j.bmcl.2015.02.044
Rattus norvegicus L6 IC50 nan None 10.1016/j.bmc.2010.11.003
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Activity nan None 10.1124/dmd.110.035105
Rattus norvegicus Nucleoside triphosphate diphosphohydrolase 3 Ki 12700.0 nM 10.1016/j.bmcl.2006.09.003
Rattus norvegicus P2X purinoceptor 1 EC50 1000.0 nM 10.1021/jm020046y
Rattus norvegicus P2X purinoceptor 2 EC50 10400.0 nM 10.1021/jm020046y
Rattus norvegicus P2X purinoceptor 2 IC50 4000.0 nM 10.1021/jm1012193
Rattus norvegicus P2X purinoceptor 2 IC50 39810.72 nM 10.1021/jm1012193
Rattus norvegicus P2X purinoceptor 4 EC50 100000.0 nM 10.1021/jm020046y
Rattus norvegicus P2X purinoceptor 5 EC50 4000.0 nM 10.1021/jm020046y
Rattus norvegicus P2X purinoceptor 6 EC50 100000.0 nM 10.1021/jm020046y
Rattus norvegicus Peripheral myelin protein 22 Potency 36125.4 nM None
Rattus norvegicus Plasma Fu 0.003 None 10.1021/jm901371v
Rattus norvegicus Purinergic receptor P2Y12 EC50 4000.0 nM 10.1021/jm020046y
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00135a003
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 14125.4 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 16360.1 nM None
Saccharomyces cerevisiae S288c NAD-dependent deacetylase HST2 IC50 240000.0 nM 10.1016/j.bmc.2009.07.073
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 260.0 nM 10.1016/j.bmc.2023.117179
Staphylococcus aureus Staphylococcus aureus Inhibition 23.13 % 10.6019/CHEMBL4513149
Staphylococcus aureus (strain NCTC 8325) ATP-dependent Clp protease proteolytic subunit Inhibition 50.0 % 10.1021/acs.jmedchem.9b01746
Sus scrofa Tubulin IC50 nan None 10.1016/j.bmc.2007.06.042
Trypanosoma brucei 6-phospho-1-fructokinase IC50 3000.0 nM 10.1021/ml400259d
Trypanosoma brucei 6-phospho-1-fructokinase Potency 674.6 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 7079.5 nM None
Trypanosoma brucei Trypanosoma brucei EC50 20.0 nM 10.1021/jm021030a
Trypanosoma brucei Trypanosoma brucei EC50 40.0 nM 10.1021/acs.jmedchem.5b00515
Trypanosoma brucei Trypanosoma brucei IC50 110.0 nM 10.1016/j.bmc.2010.11.003
Trypanosoma brucei Trypanosoma brucei IC50 130.0 nM 10.1021/jm070760l
Trypanosoma brucei Trypanosoma brucei IC50 210.0 nM 10.1021/jm0304461
Trypanosoma brucei Trypanosoma brucei IC50 900.0 nM 10.1016/j.bmcl.2004.05.026
Trypanosoma brucei Trypanosoma brucei IC50 1400.0 nM 10.1021/np300834q
Trypanosoma brucei Trypanosoma brucei MEC 0.8 uM 10.1021/jm021030a
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 2685.5 nM None
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity nan None 10.1016/j.bmc.2014.08.005
Trypanosoma brucei brucei Trypanosoma brucei brucei ED50 0.3 uM 10.1021/jm070763y
Trypanosoma brucei brucei Trypanosoma brucei brucei ED50 130.0 nM 10.1021/jm301424d
Trypanosoma brucei brucei Trypanosoma brucei brucei GI nan None 10.1021/acs.jmedchem.5b00687
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 0.11 ug.mL-1 10.1016/j.ejmech.2013.06.004
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 0.193 ug.mL-1 10.1021/np049682k
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 1.58 ug.mL-1 10.1016/j.bmc.2008.10.061
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 1.58 ug.mL-1 10.1016/j.bmcl.2013.12.052
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 5.0 nM 10.1016/j.ejmech.2014.04.079
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 5.0 nM 10.1021/jm101225g
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 20.0 nM 10.1016/j.bmc.2014.08.005
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1016/j.ejmech.2015.05.044
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 41.0 nM 10.1021/np070038q
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 77.0 nM 10.1016/j.bmc.2007.06.042
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 130.0 nM 10.1021/np300638f
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 190.0 nM 10.1021/np0502600
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 200.0 nM 10.1021/np0702281
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 250.0 nM 10.1016/j.bmcl.2011.01.101
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 310.0 nM 10.1021/jm900629w
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 310.0 nM 10.1021/np5006554
Trypanosoma brucei brucei Trypanosoma brucei brucei Inhibition 100.0 % 10.1016/j.bmc.2014.08.005
Trypanosoma brucei brucei Trypanosoma brucei brucei MIC 60.0 nM 10.1016/j.bmc.2010.11.012
Trypanosoma brucei brucei Trypanosoma brucei brucei MST 21.0 day 10.1016/j.bmc.2014.08.005
Trypanosoma brucei brucei Trypanosoma brucei brucei Survival 100.0 % 10.1016/j.ejmech.2014.04.079
Trypanosoma brucei rhodesiense Rhodesain Inhibition 32.0 % 10.1021/jm900629w
Trypanosoma brucei rhodesiense Rhodesain Inhibition nan % 10.1021/jm900629w
Trypanosoma brucei rhodesiense Rhodesain Ki nan None 10.1021/jm900629w
Trypanosoma brucei rhodesiense Rhodesain Ki nan None 10.1021/jm900946n
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense EC50 185.3 nM 10.1016/j.bmcl.2011.10.108
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 0.13 ug.mL-1 10.1016/j.bmc.2009.01.011
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 7.5 nM 10.1016/j.bmcl.2006.07.057
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 7.5 nM 10.1016/j.bmcl.2015.02.044
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 20.0 nM 10.1016/j.bmc.2014.08.005
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 120.0 nM 10.1016/j.bmc.2010.11.003
Trypanosoma cruzi Trypanosoma cruzi IC50 nan nM 10.1016/j.bmcl.2004.05.026
Trypanosoma evansi Trypanosoma evansi Activity nan None 10.1128/aac.00422-09
Trypanosoma evansi Trypanosoma evansi Survival 11.0 day 10.1128/aac.00422-09
Trypanosoma evansi Trypanosoma evansi Survival 51.0 day 10.1128/aac.00422-09
Trypanosoma evansi Trypanosoma evansi Survival 60.0 day 10.1128/aac.00422-09
None ADMET CL 0.0057 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Drug uptake 6.7 % 10.1128/aac.00372-07
None ADMET Drug uptake 7.4 % 10.1128/aac.00372-07
None ADMET Drug uptake 8.6 % 10.1128/aac.00372-07
None ADMET Drug uptake 9.5 % 10.1128/aac.00372-07
None ADMET Drug uptake 10.9 % 10.1128/aac.00372-07
None ADMET Drug uptake 11.4 % 10.1128/aac.00372-07
None ADMET Drug uptake 12.5 % 10.1128/aac.00372-07
None ADMET Drug uptake 13.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 25.3 % 10.1128/aac.00372-07
None ADMET Drug uptake 26.6 % 10.1128/aac.00372-07
None ADMET Drug uptake 27.2 % 10.1128/aac.00372-07
None ADMET Drug uptake 29.3 % 10.1128/aac.00372-07
None ADMET Drug uptake 39.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 46.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 57.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 97.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 99.4 % 10.1128/aac.00372-07
None ADMET Drug uptake 100.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 163.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 263.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 388.0 % 10.1128/aac.00372-07
None ADMET Drug uptake 437.0 % 10.1128/aac.00372-07
None ADMET IC50 64000.0 nM 10.1016/j.bmc.2014.08.005
None ADMET IC50 nan None 10.1016/j.ejmech.2015.05.044
None ADMET MRT 1400.0 hr 10.1124/dmd.108.020479
None ADMET PPB 95.3 % 10.1128/aac.00372-07
None ADMET T1/2 1200.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.54 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Molecular identity unknown ED50 167.0 ug ml-1 10.1021/jm00177a006
None NON-PROTEIN TARGET Activity 2.0 None 10.1021/jm00395a010
None NON-PROTEIN TARGET Activity 5.0 None 10.1016/j.ejmech.2011.11.040
None NON-PROTEIN TARGET Activity 5.9 g 10.1016/j.ejmech.2011.11.040
None NON-PROTEIN TARGET Activity nan None 10.1021/jm00395a010
None NON-PROTEIN TARGET Fu 0.001 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 6.3 % 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) 11.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 63.0 % 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 NON-PROTEIN TARGET Potency 10583.9 nM None
None No relevant target LogD 0.00023 None 10.1128/aac.00372-07
None No relevant target Stability nan % 10.1016/j.bmcl.2006.09.003
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 6.31 uM None
None Unchecked Ac50 19.95 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 6309.6 nM None
None Unchecked AC50 19952.6 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity nan None 10.1016/j.bmcl.2007.04.013
None Unchecked EC50 500000.0 nM 10.1021/jm00395a010
None Unchecked EC90 500.0 uM 10.1021/jm00395a010
None Unchecked ED50 21.0 ug ml-1 10.1021/jm00177a006
None Unchecked ED50 50.0 ug ml-1 10.1021/jm00177a006
None Unchecked Hepatotoxicity (acute) 3.0 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) 0.0 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) 1.0 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) 1.0 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 700.0 nM 10.1021/jm900652e
None Unchecked IC50 2000.0 nM 10.1016/j.bmcl.2007.04.013
None Unchecked IC50 40000.0 nM None
None Unchecked IC50 400000.0 nM 10.1021/jm020427b
None Unchecked IC50 nan None 10.1016/j.bmc.2007.06.042
None Unchecked ID100 7e-06 M 10.1021/jm000412i
None Unchecked ID50 7e-07 M 10.1021/jm000412i
None Unchecked Inhibition 10.0 % 10.1016/j.bmc.2010.09.041
None Unchecked Ki 12700.0 nM 10.1021/jm800175e
None Unchecked Ki nan None 10.1021/jm900946n
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 3061.2 nM None
None Unchecked Potency 3149.5 nM None
None Unchecked Potency 4448.8 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 6284.1 nM None
None Unchecked Potency 8947.4 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 11264.1 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 35338.3 nM None
None Unchecked Potency 158489.3 nM None
None Unchecked Ratio ED50 1900.0 None 10.1021/jm301424d
None Unchecked Ratio IC50 63.0 None 10.1016/j.bmc.2008.10.061
None Unchecked Ratio IC50 63.0 None 10.1016/j.bmcl.2013.12.052
None Unchecked Ratio IC50 629900.0 None 10.1016/j.bmcl.2015.02.044
None Unchecked Ratio IC50 629933.0 None 10.1016/j.bmcl.2006.07.057
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2013.06.004
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2015.05.044

Metabolism Information