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zileutonum

AlkaPlorer ID: AK323075

Synonym: None

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

Structure

SMILES: CC(C1=CC2=CC=CC=C2S1)N(O)C(N)=O

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InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

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InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

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Reference

PubChem CID: 60490

CAS: 111406-87-2

NPASS: NPC480243

COCONUT: CNP0054938.2

Properties Information

Molecule Weight: 236.296

TPSA？: 66.56

MolLogP？: 2.7322

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 10.68 % 10.6019/CHEMBL4513141
Agaricus bisporus Tyrosinase Inhibition nan % 10.1021/jm401053m
Bos taurus Cyclooxygenase IC50 750000.0 nM 10.1016/S0960-894X(00)80622-8
Bos taurus Cyclooxygenase ID50 750.0 uM 10.1021/jm00100a011
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 5.22 % 10.6019/CHEMBL4513141
Canis lupus familiaris Canis familiaris Duration of action 8.5 None 10.1016/S0960-894X(01)80152-9
Canis lupus familiaris Canis familiaris Duration of action 9.8 None 10.1016/S0960-894X(01)80152-9
Canis lupus familiaris Canis familiaris Inhibition 90.0 % 10.1016/S0960-894X(01)80152-9
Cavia porcellus Cavia porcellus Changes in airway resistance 58.0 RL 10.1021/jm00004a013
Cavia porcellus Cavia porcellus Changes in airway resistance 62.0 RL 10.1021/jm00004a013
Cavia porcellus Cavia porcellus Changes in dynamic compliance 39.0 Cdyn 10.1021/jm00004a013
Cavia porcellus Cavia porcellus Changes in dynamic compliance 52.0 Cdyn 10.1021/jm00004a013
Cavia porcellus Cavia porcellus ED50 12.0 mg.kg-1 10.1021/jm960088k
Cavia porcellus Cavia porcellus ED50 18.0 mg.kg-1 10.1021/jm960088k
Cavia porcellus Cavia porcellus ED50 19.0 mg.kg-1 10.1021/jm950363n
Cavia porcellus Cavia porcellus ED50 46.0 mg.kg-1 10.1021/jm950363n
Cavia porcellus Cavia porcellus ED50 nan umol.kg-1 10.1021/jm00004a013
Cavia porcellus Histamine H1 receptor Inhibition 82.0 % 10.1016/j.bmcl.2004.02.005
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
Cercopithecidae Monkey GT rate 0.12 None 10.1021/jm00024a004
Cryptococcus neoformans Cryptococcus neoformans Inhibition 2.66 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition 6.17 % 10.6019/CHEMBL4513141
Homo sapiens 5-lipoxygenase activating protein Activity 6.7 % 10.1016/j.ejmech.2016.02.027
Homo sapiens 5-lipoxygenase activating protein IC50 580.0 nM 10.1016/j.ejmech.2016.02.027
Homo sapiens 5-lipoxygenase activating protein IC50 2200.0 nM 10.1021/jm2008369
Homo sapiens 5-lipoxygenase activating protein IC50 4200.0 nM 10.1021/jm2008369
Homo sapiens 5-lipoxygenase/FLAP Activity 19.1 % 10.1021/jm201687d
Homo sapiens 5-lipoxygenase/FLAP Activity 20.4 % 10.1021/jm201687d
Homo sapiens 5-lipoxygenase/FLAP Activity 93.2 % 10.1021/jm201687d
Homo sapiens 5-lipoxygenase/FLAP Activity 95.1 % 10.1021/jm201687d
Homo sapiens 5-lipoxygenase/FLAP Activity 101.3 % 10.1021/jm201687d
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 10000.0 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 10000.0 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 10000.0 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 Alpha-1a adrenergic receptor AC50 10000.0 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-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
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 12-lipoxygenase IC50 55000.0 nM 10.1021/jm00075a013
Homo sapiens Arachidonate 12-lipoxygenase Inhibition 50.0 % 10.1016/j.bmc.2013.04.016
Homo sapiens Arachidonate 15-lipoxygenase IC50 400.0 nM 10.1016/j.bmcl.2017.03.017
Homo sapiens Arachidonate 15-lipoxygenase IC50 15600.0 nM 10.1039/d1md00280e
Homo sapiens Arachidonate 15-lipoxygenase Inhibition 100.0 % 10.1016/j.bmc.2013.04.016
Homo sapiens Arachidonate 15-lipoxygenase, type II Inhibition 100.0 % 10.1016/j.bmc.2013.04.016
Homo sapiens Arachidonate 5-lipoxygenase Activity -63.4 % 10.1021/acsmedchemlett.9b00193
Homo sapiens Arachidonate 5-lipoxygenase Activity -46.2 % 10.1016/j.ejmech.2018.08.098
Homo sapiens Arachidonate 5-lipoxygenase Activity 3.9 % 10.1021/acs.jmedchem.2c00817
Homo sapiens Arachidonate 5-lipoxygenase Activity 6.3 % 10.1016/j.ejmech.2014.05.033
Homo sapiens Arachidonate 5-lipoxygenase Activity 6.6 % 10.1016/j.ejmech.2013.06.039
Homo sapiens Arachidonate 5-lipoxygenase Activity 13.4 % 10.1016/j.ejmech.2013.06.039
Homo sapiens Arachidonate 5-lipoxygenase Activity 14.24 % 10.1021/acs.jmedchem.2c00817
Homo sapiens Arachidonate 5-lipoxygenase Activity 18.1 % 10.1016/j.ejmech.2014.05.033
Homo sapiens Arachidonate 5-lipoxygenase Activity 23.3 % 10.1021/acs.jnatprod.9b00538
Homo sapiens Arachidonate 5-lipoxygenase Activity 25.0 % 10.1021/acs.jnatprod.5b01052
Homo sapiens Arachidonate 5-lipoxygenase Activity 28.0 % 10.1021/acs.jmedchem.5b01011
Homo sapiens Arachidonate 5-lipoxygenase Activity 29.8 % 10.1016/j.bmc.2013.10.006
Homo sapiens Arachidonate 5-lipoxygenase Activity 33.1 % 10.1016/j.bmc.2013.10.006
Homo sapiens Arachidonate 5-lipoxygenase Activity 35.0 % 10.1021/acs.jmedchem.5b01011
Homo sapiens Arachidonate 5-lipoxygenase Activity 42.1 % 10.1016/j.bmc.2018.12.043
Homo sapiens Arachidonate 5-lipoxygenase Activity 50.0 % 10.1016/j.ejmech.2016.08.066
Homo sapiens Arachidonate 5-lipoxygenase Activity 59.4 % 10.1021/acs.jnatprod.5b01052
Homo sapiens Arachidonate 5-lipoxygenase Activity 101.3 % 10.1016/j.bmc.2013.10.006
Homo sapiens Arachidonate 5-lipoxygenase Activity 111.3 % 10.1016/j.bmc.2013.10.006
Homo sapiens Arachidonate 5-lipoxygenase Activity nan None 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase Activity nan None 10.1021/jm900212y
Homo sapiens Arachidonate 5-lipoxygenase EC50 470.0 nM 10.1021/jm00095a012
Homo sapiens Arachidonate 5-lipoxygenase FC 1.4 None 10.1021/acs.jmedchem.5b01011
Homo sapiens Arachidonate 5-lipoxygenase FC 1.5 None 10.1021/acs.jmedchem.5b01011
Homo sapiens Arachidonate 5-lipoxygenase IC50 100.0 nM 10.1021/acs.jnatprod.9b00081
Homo sapiens Arachidonate 5-lipoxygenase IC50 150.0 nM 10.1016/j.ejmech.2018.07.026
Homo sapiens Arachidonate 5-lipoxygenase IC50 150.0 nM 10.1016/j.ejmech.2020.112090
Homo sapiens Arachidonate 5-lipoxygenase IC50 300.0 nM 10.1016/j.bmc.2014.01.027
Homo sapiens Arachidonate 5-lipoxygenase IC50 320.0 nM 10.1021/jm9904102
Homo sapiens Arachidonate 5-lipoxygenase IC50 350.0 nM 10.1021/acs.jnatprod.6b01011
Homo sapiens Arachidonate 5-lipoxygenase IC50 390.0 nM 10.1016/j.bmcl.2022.129101
Homo sapiens Arachidonate 5-lipoxygenase IC50 400.0 nM 10.1021/jm801085s
Homo sapiens Arachidonate 5-lipoxygenase IC50 410.0 nM 10.1021/jm401053m
Homo sapiens Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1016/j.bmc.2012.04.003
Homo sapiens Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1016/j.bmc.2012.06.019
Homo sapiens Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1016/j.bmcl.2012.01.038
Homo sapiens Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/acs.jnatprod.9b00403
Homo sapiens Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/jm201497k
Homo sapiens Arachidonate 5-lipoxygenase IC50 518.0 nM 10.1016/j.bmcl.2004.12.023
Homo sapiens Arachidonate 5-lipoxygenase IC50 521.0 nM 10.1016/j.ejmech.2020.112518
Homo sapiens Arachidonate 5-lipoxygenase IC50 540.0 nM 10.1016/j.ejmech.2015.07.011
Homo sapiens Arachidonate 5-lipoxygenase IC50 560.0 nM 10.1016/j.ejmech.2013.06.039
Homo sapiens Arachidonate 5-lipoxygenase IC50 590.0 nM 10.1016/j.bmc.2018.12.043
Homo sapiens Arachidonate 5-lipoxygenase IC50 590.0 nM 10.1016/j.ejmech.2015.02.042
Homo sapiens Arachidonate 5-lipoxygenase IC50 600.0 nM 10.1016/j.ejmech.2014.05.033
Homo sapiens Arachidonate 5-lipoxygenase IC50 600.0 nM 10.1021/acs.jmedchem.0c01541
Homo sapiens Arachidonate 5-lipoxygenase IC50 600.0 nM 10.1021/jm401557w
Homo sapiens Arachidonate 5-lipoxygenase IC50 600.0 nM 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase IC50 630.0 nM 10.1016/j.ejmech.2019.111863
Homo sapiens Arachidonate 5-lipoxygenase IC50 660.0 nM 10.1016/j.ejmech.2020.112620
Homo sapiens Arachidonate 5-lipoxygenase IC50 700.0 nM 10.1016/j.bmc.2010.04.034
Homo sapiens Arachidonate 5-lipoxygenase IC50 700.0 nM 10.1016/j.ejmech.2014.05.033
Homo sapiens Arachidonate 5-lipoxygenase IC50 740.0 nM 10.1021/jm00024a004
Homo sapiens Arachidonate 5-lipoxygenase IC50 740.0 nM 10.1021/jm9700474
Homo sapiens Arachidonate 5-lipoxygenase IC50 760.0 nM 10.1021/jm9606150
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1016/j.bmc.2010.04.034
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1016/j.ejmech.2011.08.009
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1021/acs.jnatprod.6b01008
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1021/acs.jnatprod.6b01126
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1021/jm900212y
Homo sapiens Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1039/d1md00280e
Homo sapiens Arachidonate 5-lipoxygenase IC50 810.0 nM 10.1016/j.ejmech.2020.112518
Homo sapiens Arachidonate 5-lipoxygenase IC50 840.0 nM 10.1021/jm00075a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 873.0 nM 10.1016/j.bmcl.2004.02.005
Homo sapiens Arachidonate 5-lipoxygenase IC50 873.0 nM 10.1016/j.bmcl.2004.08.060
Homo sapiens Arachidonate 5-lipoxygenase IC50 873.0 nM 10.1016/j.bmcl.2004.12.023
Homo sapiens Arachidonate 5-lipoxygenase IC50 900.0 nM 10.1016/j.ejmech.2015.02.042
Homo sapiens Arachidonate 5-lipoxygenase IC50 900.0 nM 10.1021/jm401557w
Homo sapiens Arachidonate 5-lipoxygenase IC50 900.0 nM 10.1021/jm900212y
Homo sapiens Arachidonate 5-lipoxygenase IC50 910.0 nM 10.1016/j.ejmech.2016.02.027
Homo sapiens Arachidonate 5-lipoxygenase IC50 1000.0 nM 10.1016/j.ejmech.2016.08.066
Homo sapiens Arachidonate 5-lipoxygenase IC50 1000.0 nM 10.1021/np401010x
Homo sapiens Arachidonate 5-lipoxygenase IC50 1050.0 nM 10.1021/acsmedchemlett.9b00193
Homo sapiens Arachidonate 5-lipoxygenase IC50 1100.0 nM 10.1016/j.bmc.2014.03.008
Homo sapiens Arachidonate 5-lipoxygenase IC50 1100.0 nM 10.1016/j.bmcl.2014.04.006
Homo sapiens Arachidonate 5-lipoxygenase IC50 1100.0 nM 10.1016/j.ejmech.2013.06.039
Homo sapiens Arachidonate 5-lipoxygenase IC50 1110.0 nM 10.1021/jm201497k
Homo sapiens Arachidonate 5-lipoxygenase IC50 1300.0 nM 10.1016/j.ejmech.2015.07.011
Homo sapiens Arachidonate 5-lipoxygenase IC50 1400.0 nM 10.1016/j.bmc.2018.12.043
Homo sapiens Arachidonate 5-lipoxygenase IC50 1500.0 nM 10.1016/j.ejmech.2018.08.098
Homo sapiens Arachidonate 5-lipoxygenase IC50 1700.0 nM 10.1021/acs.jnatprod.6b01008
Homo sapiens Arachidonate 5-lipoxygenase IC50 1700.0 nM 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase IC50 1800.0 nM 10.1016/S0960-894X(01)80152-9
Homo sapiens Arachidonate 5-lipoxygenase IC50 1800.0 nM 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase IC50 1800.0 nM 10.1021/jm00075a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 2000.0 nM 10.1021/jm00004a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 2200.0 nM 10.1016/S0960-894X(01)80152-9
Homo sapiens Arachidonate 5-lipoxygenase IC50 2200.0 nM 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase IC50 2200.0 nM 10.1021/jm00075a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 2310.0 nM 10.1016/j.ejmech.2019.06.060
Homo sapiens Arachidonate 5-lipoxygenase IC50 2310.0 nM 10.1021/acs.jnatprod.1c00982
Homo sapiens Arachidonate 5-lipoxygenase IC50 2500.0 nM 10.1016/j.ejmech.2015.02.042
Homo sapiens Arachidonate 5-lipoxygenase IC50 2600.0 nM 10.1021/jm00092a010
Homo sapiens Arachidonate 5-lipoxygenase IC50 2900.0 nM 10.1016/s0960-894x(02)00013-6
Homo sapiens Arachidonate 5-lipoxygenase IC50 3000.0 nM 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase IC50 3300.0 nM 10.1016/S0960-894X(01)80717-4
Homo sapiens Arachidonate 5-lipoxygenase IC50 3300.0 nM 10.1021/jm201497k
Homo sapiens Arachidonate 5-lipoxygenase IC50 3500.0 nM 10.1021/jm00034a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 3700.0 nM 10.1016/j.bmc.2014.03.008
Homo sapiens Arachidonate 5-lipoxygenase IC50 3700.0 nM 10.1016/j.bmcl.2012.12.068
Homo sapiens Arachidonate 5-lipoxygenase IC50 3700.0 nM 10.1021/jm00030a010
Homo sapiens Arachidonate 5-lipoxygenase IC50 3700.0 nM 10.1021/jm960301c
Homo sapiens Arachidonate 5-lipoxygenase IC50 3700.0 nM 10.1021/jm970046b
Homo sapiens Arachidonate 5-lipoxygenase IC50 5000.0 nM 10.1016/j.bmc.2009.05.018
Homo sapiens Arachidonate 5-lipoxygenase IC50 5000.0 nM 10.1016/j.bmc.2009.10.031
Homo sapiens Arachidonate 5-lipoxygenase IC50 5120.0 nM 10.1021/jm00075a013
Homo sapiens Arachidonate 5-lipoxygenase IC50 5300.0 nM 10.1016/j.ejmech.2019.07.043
Homo sapiens Arachidonate 5-lipoxygenase IC50 6300.0 nM 10.1021/np200343t
Homo sapiens Arachidonate 5-lipoxygenase IC50 23900.0 nM 10.1021/acs.jnatprod.9b00538
Homo sapiens Arachidonate 5-lipoxygenase IC50 100000.0 nM 10.1016/j.bmc.2017.07.003
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 25.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 27.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 28.1 % 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 37.9 % 10.1021/jm401740w
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 47.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 49.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 50.0 % 10.1016/j.ejmech.2007.08.005
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 56.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 74.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 79.0 % 10.1016/j.bmc.2017.07.003
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 80.0 % 10.1016/j.ejmech.2016.07.004
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 80.6 % 10.1021/jm301900x
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 81.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 83.05 % 10.1021/np900374s
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 83.1 % 10.1016/j.ejmech.2021.113165
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 86.6 % 10.1021/acsmedchemlett.9b00193
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 86.9 % 10.1016/j.ejmech.2018.08.098
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 87.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 89.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 90.52 % 10.1016/j.bmc.2018.12.043
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 91.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 94.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 95.9 % 10.1021/jm301900x
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 96.0 % 10.1021/jm00001a012
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 97.0 % 10.1016/j.ejmech.2016.08.066
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 100.0 % 10.1016/j.bmc.2013.04.016
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 100.0 % 10.1021/jm00004a013
Homo sapiens Arachidonate 5-lipoxygenase Inhibition nan % 10.1016/j.ejmech.2019.06.060
Homo sapiens Arachidonate 5-lipoxygenase Inhibition nan % 10.1021/acs.jnatprod.1c00982
Homo sapiens Arachidonate 5-lipoxygenase Inhibition nan % 10.1021/np500909b
Homo sapiens Arachidonate 5-lipoxygenase Ka 0.26 10'4 /uL 10.1016/j.bmcl.2012.12.068
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 IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 751200.0 nM 10.1124/dmd.112.047068
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Homo sapiens Bradykinin B2 receptor AC50 10000.0 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 Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 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 Inhibition nan % 10.1021/jm401053m
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 Cholecystokinin A receptor AC50 10000.0 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 Cyclooxygenase-1 IC50 10000.0 nM 10.1016/s0960-894x(02)00013-6
Homo sapiens Cyclooxygenase-1 IC50 nan None 10.1016/j.bmc.2010.04.034
Homo sapiens Cyclooxygenase-1 IC50 nan None 10.1016/j.bmcl.2022.129101
Homo sapiens Cyclooxygenase-1 IC50 nan None 10.1016/j.ejmech.2022.114597
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Inhibition 0.0 % 10.1021/jm9606150
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-1 Selectivity nan None 10.1016/s0960-894x(02)00013-6
Homo sapiens Cyclooxygenase-2 AC50 14300.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 10000.0 nM 10.1016/s0960-894x(02)00013-6
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.bmc.2010.04.034
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.bmc.2017.06.027
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.ejmech.2019.07.004
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.ejmech.2020.112620
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.ejmech.2022.114597
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1021/acs.jnatprod.6b01011
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Inhibition 0.0 % 10.1021/jm9606150
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 Activity nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki 117000.0 nM 10.2174/138920005774330639
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 1A2 Kinact 0.035 min-1 10.2174/138920005774330639
Homo sapiens Cytochrome P450 1A2 Ratio IC50 5.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
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 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Log 1/Km -2.194 None 10.1016/j.bmcl.2005.06.015
Homo sapiens Delta opioid receptor AC50 30000.0 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 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 nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
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 IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Epoxide hydratase IC50 591.0 nM 10.1021/jm301617j
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 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 IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Galactocerebrosidase Potency 707.9 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 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 HeLa IC50 0.04 ug.mL-1 10.1016/j.bmc.2009.11.007
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None 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 nM 10.1016/j.bmcl.2004.08.060
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 Histone deacetylase 2 Inhibition nan % 10.1021/jm401053m
Homo sapiens Histone deacetylase 6 Inhibition -6.78 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.75 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 5.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Glucuronidation rate 0.025 nM min-1 mg-1 10.1016/S0960-894X(01)80509-6
Homo sapiens Homo sapiens Glucuronidation rate 0.155 nM min-1 mg-1 10.1016/S0960-894X(01)80509-6
Homo sapiens Homo sapiens IC50 2.0 nM 10.1021/jm00034a013
Homo sapiens Homo sapiens IC50 600.0 nM 10.1021/jm960088k
Homo sapiens Homo sapiens IC50 640.0 nM 10.1016/S0960-894X(01)80509-6
Homo sapiens Homo sapiens IC50 700.0 nM 10.1021/jm960088k
Homo sapiens Homo sapiens IC50 1060.0 nM 10.1021/jm00034a013
Homo sapiens Homo sapiens IC50 1100.0 nM 10.1021/jm00030a010
Homo sapiens Homo sapiens IC50 1100.0 nM 10.1021/jm960301c
Homo sapiens Homo sapiens IC50 1100.0 nM 10.1021/jm970046b
Homo sapiens Homo sapiens IC50 1300.0 nM 10.1021/jm950725r
Homo sapiens Homo sapiens IC50 1880.0 nM 10.1016/S0960-894X(01)80509-6
Homo sapiens Homo sapiens IC50 2000.0 nM 10.1021/jm00030a010
Homo sapiens Homo sapiens IC50 2000.0 nM 10.1021/jm00111a038
Homo sapiens Homo sapiens IC50 2000.0 nM 10.1021/jm960301c
Homo sapiens Homo sapiens IC50 2000.0 nM 10.1021/jm970046b
Homo sapiens Homo sapiens IC50 3000.0 nM 10.1021/jm950363n
Homo sapiens Homo sapiens IC50 25000.0 nM 10.1021/jm00111a038
Homo sapiens Homo sapiens IC50 100000.0 nM 10.1021/jm950725r
Homo sapiens Homo sapiens IC50 nan nM 10.1021/jm950725r
Homo sapiens Homo sapiens ID50 30.0 uM 10.1021/jm00100a011
Homo sapiens Homo sapiens Inhibition 1.0 % 10.1021/jm980046r
Homo sapiens Homo sapiens Inhibition 75.0 % 10.1016/0960-894X(95)00088-B
Homo sapiens Homo sapiens Rate of formation 6.8 nM (mg of protein)-1 10.1021/jm960271d
Homo sapiens Homo sapiens T1/2 3.0 hr 10.1039/C2MD20317K
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 10000.0 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 Leukotriene A4 hydrolase IC50 850.0 nM 10.1021/jm990496z
Homo sapiens Leukotriene A4 hydrolase IC50 100000.0 nM 10.1021/jm990496z
Homo sapiens Leukotriene B4 receptor IC50 100000.0 nM 10.1016/j.ejmech.2007.01.014
Homo sapiens Leukotriene B4 receptor 1 Duration 8.5 hr 10.1021/jm00075a013
Homo sapiens Leukotriene B4 receptor 1 Duration 9.8 hr 10.1021/jm00075a013
Homo sapiens Leukotriene B4 receptor 1 IC50 420.0 nM 10.1021/jm950725r
Homo sapiens Leukotriene B4 receptor 1 Inhibition 95.0 % 10.1021/jm00075a013
Homo sapiens Leukotriene C4 synthase Inhibition nan % 10.1021/acs.jmedchem.9b00555
Homo sapiens Liver microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
Homo sapiens Lysosomal alpha-glucosidase Potency 12589.3 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 p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 12 Inhibition nan % 10.1021/jm401053m
Homo sapiens Matrix metalloproteinase-2 Inhibition nan % 10.1021/jm401053m
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 10000.0 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 10000.0 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 Mitochondrial amidoxime-reducing component 1 Activity 2.3 nmol/mg.min 10.1021/acs.jmedchem.9b01483
Homo sapiens Mitochondrial amidoxime-reducing component 1 Activity 6.1 nmol/mg.min 10.1021/acs.jmedchem.9b01483
Homo sapiens Mitochondrial amidoxime reducing component 2 Activity 0.9 nmol/mg.min 10.1021/acs.jmedchem.9b01483
Homo sapiens Mitochondrial amidoxime reducing component 2 Activity 8.3 nmol/mg.min 10.1021/acs.jmedchem.9b01483
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2018.07.026
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B IC50 nan None 10.1016/j.ejmech.2018.07.026
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
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 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 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 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 10000.0 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 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 10000.0 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 Phosphodiesterase 3A 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 Phospholipase A2 group IIA IC50 1000000.0 nM 10.1016/S0960-894X(00)80622-8
Homo sapiens Plasma fCmax 0.918 uM 10.1124/dmd.111.040758
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 223.9 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prostaglandin E synthase IC50 600.0 nM 10.1016/j.ejmech.2018.07.031
Homo sapiens Prostaglandin E synthase IC50 nan None 10.1021/acs.jnatprod.6b01008
Homo sapiens Prostaglandin E synthase IC50 nan None 10.1021/jm401557w
Homo sapiens Prostaglandin E synthase Inhibition 50.0 % 10.1016/j.ejmech.2016.08.066
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None 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 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None 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 30000.0 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 IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Serotransferrin K 0.0 10'2/min 10.1021/jm401053m
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Thromboxane A2 receptor AC50 10000.0 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 Trypsin Inhibition nan % 10.1021/jm401053m
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 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 Uracil nucleotide/cysteinyl leukotriene receptor Retention_time 3.5 min 10.1016/j.ejmech.2022.114212
Homo sapiens Vanilloid receptor IC50 nan None 10.1016/j.bmcl.2022.129101
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 10000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 4.07 % 10.6019/CHEMBL4513141
Macaca mulatta Rhesus monkey T1/2 1.0 hr 10.1039/C2MD20317K
Mus musculus Arachidonate 5-lipoxygenase Activity -78.0 % 10.1021/jm960271d
Mus musculus Arachidonate 5-lipoxygenase ED50 2.71 mg.kg-1 10.1021/jm00047a023
Mus musculus Arachidonate 5-lipoxygenase IC50 190.0 nM 10.1016/j.bmc.2015.09.025
Mus musculus Indoleamine 2,3-dioxygenase 2 Inhibition 55.0 % 10.1016/j.bmcl.2012.10.010
Mus musculus Leukotriene A4 hydrolase Inhibition 95.0 % 10.1021/jm990496z
Mus musculus MC9 Activity nan None 10.1021/jm701467e
Mus musculus MC9 Activity nan None 10.1021/jm8009876
Mus musculus MC9 IC50 550.0 nM 10.1021/jm701467e
Mus musculus MC9 Inhibition 50.0 % 10.1021/jm8009876
Mus musculus Mus musculus Activity -10.0 % 10.1021/jm960271d
Mus musculus Mus musculus Activity 2.88 10'6No_unit 10.1016/j.ejmech.2016.10.046
Mus musculus Mus musculus Activity 3.35 ng/ml 10.1016/j.ejmech.2016.10.046
Mus musculus Mus musculus Activity 38.2 % 10.1016/j.ejmech.2015.11.048
Mus musculus Mus musculus Activity 38.2 % 10.1016/j.ejmech.2018.05.041
Mus musculus Mus musculus Activity 65.0 ng/ml 10.1021/acs.jnatprod.6b01008
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2018.07.031
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.1c00806
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.2c00817
Mus musculus Mus musculus Activity nan None 10.1021/acs.jnatprod.6b01008
Mus musculus Mus musculus EC50 1600.0 nM 10.1021/jm00095a012
Mus musculus Mus musculus ED50 1.0 mg.kg-1 10.1021/jm960271d
Mus musculus Mus musculus ED50 31.0 mg.kg-1 10.1021/jm960088k
Mus musculus Mus musculus IC50 1200.0 nM 10.1021/jm00111a038
Mus musculus Mus musculus IC50 2400.0 nM 10.1021/jm960271d
Mus musculus Mus musculus IC50 27000.0 nM 10.1021/jm00111a038
Mus musculus Mus musculus Inhibition 13.0 % 10.1016/j.ejmech.2007.01.014
Mus musculus Mus musculus Inhibition 40.0 % 10.1021/jm960271d
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jnatprod.8b00366
Mus musculus Mus musculus Max inhibition 70.0 None 10.1021/jm960271d
Mus musculus Mus musculus Rate of formation 0.7 nM (mg of protein)-1 10.1021/jm960271d
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus RAW264.7 Activity nan None 10.1021/acs.jmedchem.9b00212
Mus musculus RAW264.7 Inhibition nan % 10.1021/acs.jmedchem.9b00212
Mus musculus Tumor necrosis factor ligand superfamily member 11 IC50 20000.0 nM 10.1016/j.bmc.2015.09.025
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
Ovis aries Cyclooxygenase-1 IC50 nan None 10.1016/j.bmc.2017.06.027
Ovis aries Cyclooxygenase-1 IC50 nan None 10.1016/j.ejmech.2019.07.004
Ovis aries Cyclooxygenase-1 IC50 nan None 10.1016/j.ejmech.2020.112620
Ovis aries Cyclooxygenase-1 IC50 nan None 10.1021/acs.jnatprod.6b01011
Ovis aries Prostaglandin G/H synthase (cyclooxygenase) IC50 100000.0 nM 10.1021/jm00075a013
Plasmodium falciparum Plasmodium falciparum Potency 379.3 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 6.91 % 10.6019/CHEMBL4513141
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
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 Arachidonate 5-lipoxygenase Change 0.3 uM 10.1021/jm00009a008
Rattus norvegicus Arachidonate 5-lipoxygenase Change 0.4 uM 10.1021/jm00009a008
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 140.0 nM 10.1016/S0960-894X(00)80622-8
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 180.0 nM 10.1039/C7MD00390K
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 200.0 nM 10.1016/S0960-894X(00)80459-X
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 320.0 nM 10.1021/jm00085a019
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 370.0 nM 10.1021/jm00047a023
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/jm00092a001
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/jm9606150
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/jm970034q
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 500.0 nM 10.1021/jm9700474
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 600.0 nM 10.1021/jm00111a035
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 800.0 nM 10.1016/j.ejmech.2015.11.013
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 804.0 nM 10.1021/jm980046r
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 830.0 nM 10.1016/j.bmcl.2007.02.038
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 830.0 nM 10.1016/j.ejmech.2019.03.008
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 1250.0 nM 10.1016/0960-894X(95)00088-B
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 1350.0 nM 10.1016/j.bmcl.2017.07.020
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 3200.0 nM 10.1021/jm960271d
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 3200.0 nM 10.1021/jm960415o
Rattus norvegicus Arachidonate 5-lipoxygenase ID50 0.14 uM 10.1021/jm00100a011
Rattus norvegicus Arachidonate 5-lipoxygenase Inhibition 86.9 % 10.1016/j.bmcl.2007.02.038
Rattus norvegicus Bile salt export pump IC50 564400.0 nM 10.1124/dmd.111.040758
Rattus norvegicus Cyclooxygenase Change 16.0 uM 10.1021/jm00009a008
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 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 H9c2 Activity nan None 10.1016/j.ejmech.2019.07.033
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus Activity 41.0 % 10.1021/jm900212y
Rattus norvegicus Rattus norvegicus Activity 66.0 % 10.1021/jm900212y
Rattus norvegicus Rattus norvegicus Activity 77.0 % 10.1021/jm900212y
Rattus norvegicus Rattus norvegicus ALB 36700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 388.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 442.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 458.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 479.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 62.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 64.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 75.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 79.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 128.0 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 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 176.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 620.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 656.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 666.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 790.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 125.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 165.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 201.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 774.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 37670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ED50 3.0 mg.kg-1 10.1021/jm00092a010
Rattus norvegicus Rattus norvegicus ED50 3.0 mg.kg-1 10.1021/jm960088k
Rattus norvegicus Rattus norvegicus ED50 4.4 mg.kg-1 10.1021/jm00024a004
Rattus norvegicus Rattus norvegicus ED50 4.4 mg.kg-1 10.1021/jm9700474
Rattus norvegicus Rattus norvegicus ED50 5.0 mg.kg-1 10.1021/jm00092a010
Rattus norvegicus Rattus norvegicus ED50 5.0 mg.kg-1 10.1021/jm00111a038
Rattus norvegicus Rattus norvegicus ED50 6.0 mg.kg-1 10.1021/jm9904102
Rattus norvegicus Rattus norvegicus ED50 7.8 mg.kg-1 10.1021/jm950363n
Rattus norvegicus Rattus norvegicus ED50 10.2 mg.kg-1 10.1021/jm950363n
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 45.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 103.33 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 GLUC 1420.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1450.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1483.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1600.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.97 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus IC50 2000.0 nM 10.1021/jm00111a038
Rattus norvegicus Rattus norvegicus IC50 25000.0 nM 10.1021/jm00111a038
Rattus norvegicus Rattus norvegicus Inhibition 46.0 % 10.1016/j.ejmech.2007.01.014
Rattus norvegicus Rattus norvegicus Inhibition 67.42 % 10.1016/j.ejmech.2015.06.020
Rattus norvegicus Rattus norvegicus Inhibition 72.3 % 10.1016/j.bmc.2017.06.027
Rattus norvegicus Rattus norvegicus LDH 75.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 111.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 148.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 301.67 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 LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9935.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13682.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15031.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 16299.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.77 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.27 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 405700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 406000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 413300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.97 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.1 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.67 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 207.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 247.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1084.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1114.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1348.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1769.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 106.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 125.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Plasma level 127.0 uM 10.1021/jm9700474
Rattus norvegicus Rattus norvegicus PLAT 1094000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1205330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1217670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1249000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.65 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 51300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 53700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5390000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5580000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5600000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5620000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.3 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus UI 52.0 None 10.1016/j.bmc.2017.06.027
Rattus norvegicus Rattus norvegicus URATE 14.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11270.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 17670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus RBL-1 IC50 100.0 nM 10.1021/jm960088k
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
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 Synaptic vesicular amine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Thromboxane-A synthase IC50 20000.0 nM 10.1021/jm00075a013
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 9.14 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 18.01 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2291 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 0.02 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.03 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.00439 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition -21.42 % 10.6019/CHEMBL4513141
None ADMET Activity 1.5 % 10.1016/j.ejmech.2014.07.025
None ADMET Activity 1.5 % 10.1016/j.ejmech.2014.10.054
None ADMET Activity 86.5 % 10.1016/j.ejmech.2014.10.054
None ADMET Activity nan None 10.1016/j.ejmech.2016.02.027
None ADMET CL 7.76 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 14.0 mL.min-1.kg-1 10.1021/acs.jmedchem.9b01617
None ADMET Duration of action 8.5 hr 10.1021/jm00001a012
None ADMET Duration of action 9.8 hr 10.1021/jm00001a012
None ADMET T1/2 0.4 hr 10.1021/acs.jmedchem.9b01617
None ADMET T1/2 0.4 hr 10.1021/jm9700474
None ADMET T1/2 3.0 hr 10.1021/jm960088k
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 29.7 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 3.0 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 DILI positive/negative 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 5.9 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 11.9 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity LTKB_BD DILI severity score 5.0 None 10.1016/j.drudis.2011.05.007
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 47.5 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 65.3 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Activity 78.0 % 10.1016/j.ejmech.2016.08.066
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 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) 8.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 16.7 % 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 IC50 10.0 nM 10.1016/j.ejmech.2007.01.014
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 2.4 nM None
None NON-PROTEIN TARGET Potency 3.4 nM None
None NON-PROTEIN TARGET Potency 17.2 nM None
None NON-PROTEIN TARGET Potency 18.8 nM None
None NON-PROTEIN TARGET Potency 74.9 nM None
None No relevant target Activity 10.3 % 10.1021/acsmedchemlett.9b00193
None No relevant target Activity 17.8 % 10.1016/j.ejmech.2018.08.098
None No relevant target Activity 33.6 % 10.1016/j.ejmech.2016.08.066
None No relevant target CLogP 3.6 None 10.1021/jm960271d
None No relevant target IC50 100000.0 nM 10.1016/j.ejmech.2019.06.060
None No relevant target IC50 nan None 10.1016/j.ejmech.2018.07.026
None No relevant target LogD7.4 2.05 None 10.6019/CHEMBL3301361
None No relevant target log K nan None 10.1016/j.ejmech.2007.01.014
None No relevant target LogP nan None 10.1016/j.ejmech.2007.01.014
None No relevant target Ratio 0.0 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.62 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.9 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.91 None 10.1021/acs.jmedchem.0c01541
None No relevant target Solubility 436500.0 nM 10.6019/CHEMBL3301361
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Unchecked Ac50 3.981 uM None
None Unchecked Ac50 7.079 uM None
None Unchecked Ac50 7.943 uM None
None Unchecked Ac50 35.48 uM None
None Unchecked AC50 3990.0 nM None
None Unchecked AC50 7079.5 nM None
None Unchecked AC50 7943.3 nM None
None Unchecked AC50 35481.3 nM None
None Unchecked Hepatotoxicity (acute) 2.0 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) 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 38.91 nM 10.1016/j.ejmech.2019.07.004
None Unchecked IC50 139.1 nM 10.1016/j.ejmech.2022.114597
None Unchecked IC50 300.0 nM 10.1016/j.ejmech.2015.04.044
None Unchecked IC50 300.0 nM 10.1021/acs.jmedchem.1c00880
None Unchecked IC50 1100.0 nM 10.1016/j.bmc.2012.03.021
None Unchecked IC50 1500.0 nM 10.1021/jm00085a019
None Unchecked IC50 2410.0 nM 10.1016/j.ejmech.2017.12.065
None Unchecked IC50 2900.0 nM 10.1016/j.bmcl.2009.12.047
None Unchecked IC50 3429.0 nM 10.1016/j.bmc.2017.06.027
None Unchecked IC50 10400.0 nM 10.1021/np0497043
None Unchecked IC50 13840.0 nM 10.1016/j.ejmech.2019.02.012
None Unchecked IC50 40000.0 nM 10.1021/jm00092a010
None Unchecked IC50 nan None None
None Unchecked ID50 1000.0 uM 10.1021/jm00100a011
None Unchecked Ki nan None None
None Unchecked Potency 1.5 nM None
None Unchecked Potency 13.6 nM None
None Unchecked Potency 15848.9 nM None
None Unchecked Potency 17061.9 nM None
None Unchecked Potency 38196.8 nM None
None Unchecked Potency 42857.5 nM None
None Unchecked Potency 67924.5 nM None
None Unchecked Potency 76212.6 nM None
None Unchecked Ratio IC50 nan None 10.1016/j.bmc.2010.04.034
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2019.07.004
None Unchecked Ratio IC50 nan None 10.1021/acs.jnatprod.6b01011
None Unchecked Vmax 1.2 nM/min/mg 10.1021/acs.jmedchem.9b01617

Metabolism Information