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name Structure Reference Source Properties Activities Metabolism

[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol

AlkaPlorer ID: AK323074

Synonym: None

IUPAC Name: [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

Structure

SMILES: OC(C1=CC(C(F)(F)F)=NC2=C1C=CC=C2C(F)(F)F)C1CCCCN1

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InChI: InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2

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InChIKey: XEEQGYMUWCZPDN-UHFFFAOYSA-N

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Reference

PubChem CID: 4046

CAS: 49752-90-1

NPASS: NPC480192

COCONUT: CNP0342709.3

Properties Information

Molecule Weight: 378.31600000000014

TPSA？: 45.150000000000006

MolLogP？: 4.447900000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 56234.1 nM None
Canis lupus familiaris MDCK Papp 9.4 10'-6 cm/s 10.1016/j.bmcl.2010.01.001
Canis lupus familiaris MDCK Papp 9.4 10'-6 cm/s 10.1021/jm200647u
Chlorocebus sabaeus Vero CC50 13970.0 nM 10.1101/2020.03.20.999730
Chlorocebus sabaeus Vero IC50 11000.0 nM 10.1016/j.bmcl.2009.11.105
Chlorocebus sabaeus Vero IC50 11000.0 nM 10.1021/jm900340a
Homo sapiens A-431 ED50 3.0 ug ml-1 10.1021/np50091a005
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 1464.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 1990.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 5200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 210.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 225.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 490.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 1113.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 2202.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 7075.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 8831.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 12549.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 13471.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 14281.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 17999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 23000.1 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 15848.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Ataxin-2 Potency 10000.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 109999.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 140000.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Brain Drug uptake 30.0 uM 10.1128/aac.01614-08
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 18999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 29999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cellular tumor antigen p53 Potency 10000.0 nM None
Homo sapiens Cholecystokinin A receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 21000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 6309.57 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 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 39810.7 nM None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 12999.9 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 11018.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 11399.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 19633.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 22210.1 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 IC50 14400.0 nM 10.1016/j.bmcl.2010.05.039
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha 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 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 29855.4 nM None
Homo sapiens Geminin Potency 33498.3 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 19763.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid 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 Glycine receptor subunit alpha-1 Activity 126.0 % 10.1021/jm501873p
Homo sapiens Glycine receptor subunit alpha-1 EC50 2500.0 nM 10.1021/jm501873p
Homo sapiens Glycine receptor subunit alpha-1 %max 220.0 % 10.1021/jm501873p
Homo sapiens HERG AC50 1590.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 4587.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 6113.9 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 6300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 8384.9 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 2600.0 nM 10.1016/j.bmcl.2004.06.070
Homo sapiens HERG IC50 5495.41 nM 10.1016/j.ejmech.2010.11.042
Homo sapiens HERG IC50 5623.41 nM 10.1016/j.bmc.2008.04.028
Homo sapiens HERG IC50 5623.41 nM 10.1016/j.bmcl.2005.03.080
Homo sapiens HERG Inhibition 95.0 % 10.1021/jm501809x
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 28000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Histone deacetylase 6 Inhibition 6.37 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 15.67 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens Activity 0.6 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 1.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 2.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 3.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 6.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 8.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 10.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 13.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 18.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 20.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 21.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 23.5 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 26.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 30.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 32.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 49.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 51.0 % 10.1128/aac.00354-09
Homo sapiens Homo sapiens Activity 100.0 % 10.1128/aac.00354-09
Homo sapiens HT-1080 ED50 2.3 ug ml-1 10.1021/np50091a005
Homo sapiens Huh-7 CC50 18850.0 nM 10.1073/pnas.0802982105
Homo sapiens Huntingtin Potency 35481.3 nM None
Homo sapiens Kappa opioid receptor AC50 3728.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor AC50 5987.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens KB ED50 3.5 ug ml-1 10.1021/np050510c
Homo sapiens KB ED50 3.5 ug ml-1 10.1021/np50091a005
Homo sapiens KB ED50 8430.0 nM 10.1021/np980144f
Homo sapiens KB IC50 3.5 ug.mL-1 10.1021/np50090a014
Homo sapiens KB IC50 3.5 ug.mL-1 10.1021/np9602325
Homo sapiens KB IC50 3.5 ug.mL-1 10.1021/np9605394
Homo sapiens LNCaP ED50 2.3 ug ml-1 10.1021/np50091a005
Homo sapiens LoVo IC50 7900.0 nM 10.1016/j.bmcl.2010.05.039
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MCF7 IC50 10600.0 nM 10.1016/j.bmcl.2010.05.039
Homo sapiens Melanocortin receptor 3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 12300.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 17690.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 17846.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 18885.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 22199.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 23999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 18999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 21999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 6220.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 9546.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 14089.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 14689.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 Activity nan None 10.1358/mf.2000.22.5.796646
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 Plasma Drug uptake 6.0 uM 10.1128/aac.01614-08
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 24400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 26399.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 8912.5 nM None
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Receptor protein-tyrosine kinase erbB-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 39810.7 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 9200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 9499.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 17000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 4525.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 5796.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 8112.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 8999.9 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 AC50 10999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 12382.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 12489.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 13509.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 21000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 21213.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 25000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 89.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 171.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serum albumin Ka 8.0 10^4/M 10.1016/j.bmc.2008.01.053
Homo sapiens SK-MEL-2 ED50 8.9 ug ml-1 10.1021/np50091a005
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 161.62 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 112.73 % 10.1124/mol.112.084152
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 15848.9 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7307.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8199.5 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30100.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 22387.2 nM None
Homo sapiens ZR-75-1 ED50 1.2 ug ml-1 10.1021/np50091a005
Leishmania donovani Leishmania donovani IC50 30000.0 nM 10.1128/aac.00425-07
Leishmania infantum Leishmania infantum IC50 7000.0 nM 10.1128/aac.00587-08
Leishmania infantum Leishmania infantum IC50 nan None 10.1128/aac.00587-08
Leishmania major Leishmania major EC50 12480.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major EC50 13920.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major Ratio EC50 1.1 None 10.1128/aac.01545-10
Mus musculus Mus musculus Activity 0.0 % 10.1128/aac.01526-09
Mus musculus Mus musculus Permeability nan None 10.1021/jm990968+
Mus musculus P388 ED50 0.2 ug ml-1 10.1021/np50091a005
Mus musculus RAW264.7 IC50 6500.0 nM 10.1016/j.bmcl.2010.05.039
Mycobacterium avium Mycobacterium avium MIC 20.0 mg kg-1 10.1016/j.ejmech.2010.09.024
Mycobacterium avium Mycobacterium avium MIC 21100.0 nM 10.1016/j.ejmech.2010.09.024
Mycobacterium avium Mycobacterium avium MIC50 16.0 ug.mL-1 10.1007/s00044-012-0101-3
Mycobacterium avium complex sp. Mycobacterium avium complex sp. CFU 1.8 10^7/g 10.1128/aac.01303-06
Mycobacterium avium complex sp. Mycobacterium avium complex sp. CFU 2.9 10^7/g 10.1128/aac.01303-06
Mycobacterium avium complex sp. Mycobacterium avium complex sp. CFU 4.6 10^7/g 10.1128/aac.01303-06
Mycobacterium avium complex sp. Mycobacterium avium complex sp. CFU 4.8 10^7/g 10.1128/aac.01303-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25.0 ug.mL-1 10.1016/j.bmc.2009.01.013
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25.0 ug.mL-1 10.1016/j.ejmech.2010.04.022
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 7000.0 nM 10.1016/j.bmcl.2009.11.105
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 7000.0 nM 10.1021/jm900340a
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 13000.0 nM 10.1016/j.bmcl.2009.11.105
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 13000.0 nM 10.1021/jm900003c
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 13000.0 nM 10.1021/jm900340a
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 13000.0 nM 10.1021/jm901273n
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 21100.0 nM 10.1016/j.ejmech.2010.09.024
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 33000.0 nM 10.1016/j.bmc.2011.11.006
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 33000.0 nM 10.1016/j.ejmech.2010.09.024
Plasmodium berghei Plasmodium berghei Activity 0.0 % 10.1016/j.bmcl.2009.11.088
Plasmodium berghei Plasmodium berghei Activity 0.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 0.0 % 10.1021/jm901473s
Plasmodium berghei Plasmodium berghei Activity 0.0 % 10.1128/aac.01526-09
Plasmodium berghei Plasmodium berghei Activity 10.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 20.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 30.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 36.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 50.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Activity 89.0 % 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Activity 95.0 % 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Activity 98.0 % 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Activity 99.0 % 10.1021/jm901473s
Plasmodium berghei Plasmodium berghei Activity 99.6 % 10.1128/aac.01526-09
Plasmodium berghei Plasmodium berghei Activity 99.8 % 10.1128/aac.01526-09
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1016/j.bmcl.2014.01.059
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Activity nan None 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei ED50 1.1 mg.kg-1 10.1016/j.bmc.2011.11.053
Plasmodium berghei Plasmodium berghei ED50 1.1 mg.kg-1 10.1021/jm020142z
Plasmodium berghei Plasmodium berghei ED50 3.3 mg.kg-1 10.1021/jm020142z
Plasmodium berghei Plasmodium berghei ED50 4.2 mg.kg-1 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei ED90 2.3 mg kg-1 10.1021/jm020142z
Plasmodium berghei Plasmodium berghei ED90 5.1 mg kg-1 10.1021/jm020142z
Plasmodium berghei Plasmodium berghei ED99 8.6 mg kg-1 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei MCD 9.9 mg kg-1 10.1016/j.bmc.2011.11.053
Plasmodium berghei Plasmodium berghei MfI 0.81 None 10.1021/jm960358z
Plasmodium berghei Plasmodium berghei MfI 1.0 None 10.1021/jm960358z
Plasmodium berghei Plasmodium berghei MST 15.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 17.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 22.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 24.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 26.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 27.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei MST 28.0 day 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei permeability 17.0 day 10.1016/j.bmcl.2010.01.001
Plasmodium berghei Plasmodium berghei Survival 0.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 12.5 day 10.1128/aac.01526-09
Plasmodium berghei Plasmodium berghei Survival 13.8 day 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Survival 14.0 day 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Survival 14.3 day 10.1128/aac.01526-09
Plasmodium berghei Plasmodium berghei Survival 15.2 % 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Survival 15.8 day 10.1021/jm901473s
Plasmodium berghei Plasmodium berghei Survival 18.2 day 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Survival 20.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 20.3 day 10.1016/j.bmcl.2014.01.059
Plasmodium berghei Plasmodium berghei Survival 28.0 day 10.1126/science.1193225
Plasmodium berghei Plasmodium berghei Survival 30.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 50.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 56.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 60.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival 70.0 % 10.1021/jm200647u
Plasmodium berghei Plasmodium berghei Survival nan None 10.1126/science.1193225
Plasmodium falciparum Histidine-rich protein IC50 315000.0 nM 10.1128/aac.00985-06
Plasmodium falciparum Plasmodium falciparum Activity 0.4 % 10.1128/aac.00610-09
Plasmodium falciparum Plasmodium falciparum Activity 521.0 % 10.1021/np9605394
Plasmodium falciparum Plasmodium falciparum Activity 1429.0 % 10.1021/np9605394
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1128/aac.01479-06
Plasmodium falciparum Plasmodium falciparum EC50 4.9 nM 10.1021/jm400009c
Plasmodium falciparum Plasmodium falciparum EC50 8.14 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 9.8 nM 10.1021/jm400009c
Plasmodium falciparum Plasmodium falciparum EC50 11.0 nM 10.1021/jm400009c
Plasmodium falciparum Plasmodium falciparum EC50 20.0 nM 10.1016/j.bmcl.2010.05.095
Plasmodium falciparum Plasmodium falciparum EC50 23.0 nM 10.1128/aac.00840-06
Plasmodium falciparum Plasmodium falciparum EC50 24.82 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 27.0 nM 10.1021/jm400009c
Plasmodium falciparum Plasmodium falciparum EC50 40.0 nM 10.1016/j.bmc.2010.02.013
Plasmodium falciparum Plasmodium falciparum EC50 60.0 nM 10.1128/aac.00840-06
Plasmodium falciparum Plasmodium falciparum EC50 64.0 nM 10.1128/aac.00840-06
Plasmodium falciparum Plasmodium falciparum EC50 160.0 nM 10.1016/j.bmc.2010.02.013
Plasmodium falciparum Plasmodium falciparum ED50 1.2 ng/ml 10.1021/np50091a005
Plasmodium falciparum Plasmodium falciparum ED50 1.6 ng/ml 10.1021/np50099a005
Plasmodium falciparum Plasmodium falciparum ED50 1.6 ug ml-1 10.1021/np50098a017
Plasmodium falciparum Plasmodium falciparum ED50 1.9 ng/ml 10.1021/np50112a013
Plasmodium falciparum Plasmodium falciparum ED50 7.3 ng/ml 10.1021/np50099a005
Plasmodium falciparum Plasmodium falciparum ED50 7.3 ug ml-1 10.1021/np50098a017
Plasmodium falciparum Plasmodium falciparum ED50 8.9 ng/ml 10.1021/np50112a013
Plasmodium falciparum Plasmodium falciparum ED50 9.0 ng/ml 10.1021/np50091a005
Plasmodium falciparum Plasmodium falciparum ED50 9.0 nM 10.1021/jm0491039
Plasmodium falciparum Plasmodium falciparum ED50 10.0 nM 10.1021/jm0491039
Plasmodium falciparum Plasmodium falciparum ED50 24.0 nM 10.1021/jm0491039
Plasmodium falciparum Plasmodium falciparum ED50 29.0 nM 10.1021/jm0491039
Plasmodium falciparum Plasmodium falciparum ED50 100.0 nM 10.1021/jm0491039
Plasmodium falciparum Plasmodium falciparum IC10 1.17 ng ml-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC10 1.22 ng ml-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC50 0.00049 ug.mL-1 10.1021/np50090a014
Plasmodium falciparum Plasmodium falciparum IC50 0.001 ug.mL-1 10.1021/np050510c
Plasmodium falciparum Plasmodium falciparum IC50 0.001 ug.mL-1 10.1021/np960195h
Plasmodium falciparum Plasmodium falciparum IC50 0.00136 ug.mL-1 10.1021/np000306j
Plasmodium falciparum Plasmodium falciparum IC50 0.0014 ug.mL-1 10.1021/np9605394
Plasmodium falciparum Plasmodium falciparum IC50 0.0015 ug.mL-1 10.1021/np50101a014
Plasmodium falciparum Plasmodium falciparum IC50 0.00186 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC50 0.0019 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC50 0.00209 ug.mL-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC50 0.0023 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.0025 ug.mL-1 10.1021/np50034a027
Plasmodium falciparum Plasmodium falciparum IC50 0.0035 ug.mL-1 10.1021/np50034a027
Plasmodium falciparum Plasmodium falciparum IC50 0.0036 ug.mL-1 10.1021/np0101752
Plasmodium falciparum Plasmodium falciparum IC50 0.0036 ug.mL-1 10.1021/np9602325
Plasmodium falciparum Plasmodium falciparum IC50 0.00398 ug.mL-1 10.1021/np000306j
Plasmodium falciparum Plasmodium falciparum IC50 0.004 ug.mL-1 10.1021/np50077a020
Plasmodium falciparum Plasmodium falciparum IC50 0.0043 ug.mL-1 10.1021/np960195h
Plasmodium falciparum Plasmodium falciparum IC50 0.0045 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.0047 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 0.005 ug.mL-1 10.1021/np050510c
Plasmodium falciparum Plasmodium falciparum IC50 0.0051 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 0.0063 ug.mL-1 10.1021/np0101752
Plasmodium falciparum Plasmodium falciparum IC50 0.0063 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 0.00686 ug.mL-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC50 0.0072 ug.mL-1 10.1021/np9602325
Plasmodium falciparum Plasmodium falciparum IC50 0.007379 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0075 ug.mL-1 10.1021/np9605394
Plasmodium falciparum Plasmodium falciparum IC50 0.007717 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0082 ug.mL-1 10.1021/np50090a014
Plasmodium falciparum Plasmodium falciparum IC50 0.0087 ug.mL-1 10.1021/np50101a014
Plasmodium falciparum Plasmodium falciparum IC50 0.0089 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.0095 ug.mL-1 10.1021/np50077a020
Plasmodium falciparum Plasmodium falciparum IC50 0.0097 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.01142 ug.mL-1 10.1128/aac.01023-06
Plasmodium falciparum Plasmodium falciparum IC50 0.01276 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.01301 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.016 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.0162 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.01728 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0174 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0174 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.01896 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.01908 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.01989 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0199 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.02034 ug.mL-1 10.1021/jm020142z
Plasmodium falciparum Plasmodium falciparum IC50 0.02163 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC50 0.02257 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.02346 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.02366 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.02914 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC50 0.0328 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.03406 ug.mL-1 10.1021/jm020142z
Plasmodium falciparum Plasmodium falciparum IC50 0.03538 ug.mL-1 10.1021/jm020142z
Plasmodium falciparum Plasmodium falciparum IC50 0.0437 ug.mL-1 10.1128/aac.01607-06
Plasmodium falciparum Plasmodium falciparum IC50 0.04555 ug.mL-1 10.1021/jm020142z
Plasmodium falciparum Plasmodium falciparum IC50 0.31 nM 10.1021/jm00398a026
Plasmodium falciparum Plasmodium falciparum IC50 0.7 nM 10.1016/j.bmc.2007.10.083
Plasmodium falciparum Plasmodium falciparum IC50 1.11 nM 10.1021/jm00398a026
Plasmodium falciparum Plasmodium falciparum IC50 2.0 nM 10.1021/np000285t
Plasmodium falciparum Plasmodium falciparum IC50 2.1 nM 10.1021/jm901796s
Plasmodium falciparum Plasmodium falciparum IC50 2.1 nM 10.1128/aac.00431-10
Plasmodium falciparum Plasmodium falciparum IC50 2.33 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC50 3.09 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC50 3.09 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC50 3.1 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC50 3.2 nM 10.1021/jm901796s
Plasmodium falciparum Plasmodium falciparum IC50 4.6 nM 10.1128/aac.01334-07
Plasmodium falciparum Plasmodium falciparum IC50 4.8 nM 10.1021/np0105275
Plasmodium falciparum Plasmodium falciparum IC50 4.85 nM 10.1021/jm7009292
Plasmodium falciparum Plasmodium falciparum IC50 4.89 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC50 4.9 nM 10.1128/aac.00801-10
Plasmodium falciparum Plasmodium falciparum IC50 4.93 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC50 4.96 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC50 5.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 5.02 nM 10.1021/jm020891g
Plasmodium falciparum Plasmodium falciparum IC50 5.35 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC50 5.75 nM 10.1021/jm00398a026
Plasmodium falciparum Plasmodium falciparum IC50 5.9 nM 10.1016/j.bmc.2007.10.083
Plasmodium falciparum Plasmodium falciparum IC50 5.9 nM 10.1021/jm701606b
Plasmodium falciparum Plasmodium falciparum IC50 5.9 nM 10.1128/aac.00439-08
Plasmodium falciparum Plasmodium falciparum IC50 6.01 nM 10.1016/j.bmcl.2010.11.099
Plasmodium falciparum Plasmodium falciparum IC50 6.3 nM 10.1128/aac.01220-10
Plasmodium falciparum Plasmodium falciparum IC50 6.4 nM 10.1128/aac.01220-10
Plasmodium falciparum Plasmodium falciparum IC50 6.4 nM 10.1128/aac.01334-07
Plasmodium falciparum Plasmodium falciparum IC50 6.7 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 6.7 nM 10.1128/aac.00610-09
Plasmodium falciparum Plasmodium falciparum IC50 6.9 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 7.0 nM 10.1016/j.bmc.2015.02.061
Plasmodium falciparum Plasmodium falciparum IC50 7.0 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 7.2 nM 10.1128/aac.01304-08
Plasmodium falciparum Plasmodium falciparum IC50 7.34 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC50 7.78 nM 10.1021/np980144f
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1016/j.bmc.2011.11.060
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1021/jm00036a014
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1021/jm2003359
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1128/aac.01220-10
Plasmodium falciparum Plasmodium falciparum IC50 8.4 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 8.5 nM 10.1128/aac.00801-10
Plasmodium falciparum Plasmodium falciparum IC50 9.63 nM 10.1128/aac.01144-06
Plasmodium falciparum Plasmodium falciparum IC50 10.5 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC50 10.52 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC50 10.52 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC50 11.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 11.0 nM 10.1021/jm701606b
Plasmodium falciparum Plasmodium falciparum IC50 11.0 nM 10.1128/aac.00439-08
Plasmodium falciparum Plasmodium falciparum IC50 11.0 nM 10.1128/aac.01220-10
Plasmodium falciparum Plasmodium falciparum IC50 11.0 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum IC50 11.04 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 11.25 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC50 12.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 12.0 nM 10.1021/jm2003359
Plasmodium falciparum Plasmodium falciparum IC50 12.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 12.29 nM 10.1128/aac.01144-06
Plasmodium falciparum Plasmodium falciparum IC50 12.3 nM 10.1128/aac.01466-08
Plasmodium falciparum Plasmodium falciparum IC50 12.5 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 12.87 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 13.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 13.15 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1016/j.ejmech.2015.02.047
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1128/aac.01462-08
Plasmodium falciparum Plasmodium falciparum IC50 14.07 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 14.38 nM 10.1128/aac.00312-09
Plasmodium falciparum Plasmodium falciparum IC50 15.7 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC50 16.4 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC50 16.44 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC50 16.44 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC50 17.0 nM 10.1021/jm00036a014
Plasmodium falciparum Plasmodium falciparum IC50 17.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 18.0 nM 10.1016/j.bmc.2011.11.060
Plasmodium falciparum Plasmodium falciparum IC50 18.12 nM 10.1021/np980144f
Plasmodium falciparum Plasmodium falciparum IC50 19.01 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC50 19.85 nM 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum IC50 19.9 nM 10.1128/aac.01220-10
Plasmodium falciparum Plasmodium falciparum IC50 19.9 nM 10.1128/aac.01304-08
Plasmodium falciparum Plasmodium falciparum IC50 20.0 nM 10.1016/j.ejmech.2015.02.047
Plasmodium falciparum Plasmodium falciparum IC50 20.1 nM 10.1016/j.bmcl.2010.11.099
Plasmodium falciparum Plasmodium falciparum IC50 21.0 nM 10.1128/aac.01677-08
Plasmodium falciparum Plasmodium falciparum IC50 22.45 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1016/j.bmc.2015.02.061
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1021/np000285t
Plasmodium falciparum Plasmodium falciparum IC50 25.99 nM 10.1128/aac.01144-06
Plasmodium falciparum Plasmodium falciparum IC50 28.0 nM 10.1128/aac.01677-08
Plasmodium falciparum Plasmodium falciparum IC50 28.29 nM 10.1021/jm020891g
Plasmodium falciparum Plasmodium falciparum IC50 28.5 ug.mL-1 10.1021/np050315y
Plasmodium falciparum Plasmodium falciparum IC50 29.0 nM 10.1021/np3002223
Plasmodium falciparum Plasmodium falciparum IC50 30.0 nM 10.1016/s0960-894x(01)00383-3
Plasmodium falciparum Plasmodium falciparum IC50 30.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 33.38 nM 10.1021/jm00398a026
Plasmodium falciparum Plasmodium falciparum IC50 33.46 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC50 34.0 nM 10.1021/np3002223
Plasmodium falciparum Plasmodium falciparum IC50 34.1 nM 10.1128/aac.00282-08
Plasmodium falciparum Plasmodium falciparum IC50 36.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 36.0 nM 10.1021/np0105275
Plasmodium falciparum Plasmodium falciparum IC50 36.5 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC50 37.4 nM 10.1016/j.bmcl.2010.11.099
Plasmodium falciparum Plasmodium falciparum IC50 39.0 nM 10.1016/j.bmc.2010.07.039
Plasmodium falciparum Plasmodium falciparum IC50 39.0 nM 10.1128/aac.01677-08
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1016/j.bmcl.2013.03.007
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1021/jm200227r
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1021/np200260f
Plasmodium falciparum Plasmodium falciparum IC50 42.0 nM 10.1021/jm701606b
Plasmodium falciparum Plasmodium falciparum IC50 42.0 nM 10.1128/aac.00439-08
Plasmodium falciparum Plasmodium falciparum IC50 44.0 nM 10.1016/j.bmcl.2009.07.095
Plasmodium falciparum Plasmodium falciparum IC50 46.0 nM 10.1021/jm701606b
Plasmodium falciparum Plasmodium falciparum IC50 46.0 nM 10.1128/aac.00439-08
Plasmodium falciparum Plasmodium falciparum IC50 47.47 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC50 55.0 nM 10.1016/j.bmc.2015.02.061
Plasmodium falciparum Plasmodium falciparum IC50 55.0 nM 10.1016/j.ejmech.2015.02.047
Plasmodium falciparum Plasmodium falciparum IC50 55.8 nM 10.1128/aac.01304-08
Plasmodium falciparum Plasmodium falciparum IC50 57.0 nM 10.1016/s0960-894x(00)00684-3
Plasmodium falciparum Plasmodium falciparum IC50 59.0 nM 10.1021/np0105275
Plasmodium falciparum Plasmodium falciparum IC50 62.0 nM 10.1021/jm990946n
Plasmodium falciparum Plasmodium falciparum IC50 65.0 nM 10.1016/j.ejmech.2015.02.047
Plasmodium falciparum Plasmodium falciparum IC50 74.0 nM 10.1016/j.bmcl.2009.07.095
Plasmodium falciparum Plasmodium falciparum IC50 77.0 nM 10.1128/aac.00169-08
Plasmodium falciparum Plasmodium falciparum IC50 89.4 nM 10.1021/jm901796s
Plasmodium falciparum Plasmodium falciparum IC50 90.0 nM 10.1016/s0960-894x(01)00383-3
Plasmodium falciparum Plasmodium falciparum IC50 91.0 nM 10.1016/j.bmcl.2009.07.095
Plasmodium falciparum Plasmodium falciparum IC50 100.0 nM 10.1016/j.bmcl.2010.05.039
Plasmodium falciparum Plasmodium falciparum IC50 137.0 nM 10.1128/aac.00169-08
Plasmodium falciparum Plasmodium falciparum IC50 142.0 nM 10.1016/j.bmcl.2009.07.095
Plasmodium falciparum Plasmodium falciparum IC50 147.0 nM 10.1016/j.bmcl.2009.07.095
Plasmodium falciparum Plasmodium falciparum IC50 169.5 nM 10.1021/jm030181q
Plasmodium falciparum Plasmodium falciparum IC50 182.0 nM 10.1128/aac.00169-08
Plasmodium falciparum Plasmodium falciparum IC50 194.6 nM 10.1021/jm030181q
Plasmodium falciparum Plasmodium falciparum IC50 2550.0 ug.mL-1 10.1021/np050315y
Plasmodium falciparum Plasmodium falciparum IC50 5000.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 30000.0 nM 10.1016/s0960-894x(01)00383-3
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2006.07.057
Plasmodium falciparum Plasmodium falciparum IC90 0.00373 ug.mL-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC90 0.00401 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC90 0.0067 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.01344 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC90 0.0145 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.015 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.016 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.0261 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.03099 ug.mL-1 10.1128/aac.01023-06
Plasmodium falciparum Plasmodium falciparum IC90 0.03847 ug.mL-1 10.1016/S0960-894X(00)80047-5
Plasmodium falciparum Plasmodium falciparum IC90 0.04063 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.042 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.04401 ug.mL-1 10.1021/jm0504252
Plasmodium falciparum Plasmodium falciparum IC90 0.05186 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.052 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.053 ug.mL-1 10.1021/jm200647u
Plasmodium falciparum Plasmodium falciparum IC90 0.07499 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.07562 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.0778 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.08207 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.0833 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.08488 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.0954 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.1018 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 0.1038 ug.mL-1 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum IC90 5.0 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC90 6.0 nM 10.1021/np000285t
Plasmodium falciparum Plasmodium falciparum IC90 8.4 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC90 8.41 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC90 8.41 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC90 9.45 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC90 14.7 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC90 15.25 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC90 18.58 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC90 19.49 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC90 21.65 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC90 21.65 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC90 21.7 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC90 28.06 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC90 39.09 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC90 44.76 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC90 50.14 nM 10.1021/jm701417a
Plasmodium falciparum Plasmodium falciparum IC90 64.05 nM 10.1128/aac.00312-09
Plasmodium falciparum Plasmodium falciparum IC90 65.7 nM 10.1021/jm050966r
Plasmodium falciparum Plasmodium falciparum IC90 65.71 nM 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum IC90 65.71 nM 10.1021/jm070684m
Plasmodium falciparum Plasmodium falciparum IC90 106.04 nM 10.1021/jm800737y
Plasmodium falciparum Plasmodium falciparum IC90 134.07 nM 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum IC90 152.81 nM 10.1021/jm8006905
Plasmodium falciparum Plasmodium falciparum IC90 354.0 nM 10.1021/np000285t
Plasmodium falciparum Plasmodium falciparum IC99 0.04666 ug.mL-1 10.1128/aac.01023-06
Plasmodium falciparum Plasmodium falciparum IC99 70.0 nM 10.1021/jm00036a014
Plasmodium falciparum Plasmodium falciparum IC99 105.92 nM 10.1128/aac.00312-09
Plasmodium falciparum Plasmodium falciparum Inhibition 25.0 % 10.1126/science.1193225
Plasmodium falciparum Plasmodium falciparum Inhibition 83.0 % 10.1128/aac.01478-07
Plasmodium falciparum Plasmodium falciparum Inhibition nan % 10.1128/aac.01478-07
Plasmodium falciparum Plasmodium falciparum Potency 23.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 33.8 nM None
Plasmodium falciparum Plasmodium falciparum Ratio 1.5 None 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum Ratio 1.8 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 2.72 None 10.1016/j.bmc.2008.05.017
Plasmodium falciparum Plasmodium falciparum Ratio 2.8 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 3.6 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 5.2 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 5.4 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 5.7 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 5.9 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 6.6 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 7.0 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio 7.2 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 0.289 None 10.1016/j.bmcl.2010.11.099
Plasmodium falciparum Plasmodium falciparum Ratio IC50 0.31 None 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum Ratio IC50 0.44 None 10.1016/j.bmc.2011.11.060
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.0 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.7 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.85 None 10.1016/j.bmcl.2010.11.099
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.2 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.3 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.32 None 10.1021/jm100938u
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.5 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.6 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.9 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 3.0 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 3.1 None 10.1128/aac.01421-09
Plasmodium falciparum Plasmodium falciparum Ratio IC50 3.8 None 10.1128/aac.01421-09
Plasmodium falciparum Protein kinase Pfmrk IC50 12000.0 nM 10.1021/jm040108f
Plasmodium malariae Plasmodium malariae IC50 36.8 nM 10.1128/aac.01122-10
Plasmodium malariae Plasmodium malariae IC50 46.9 nM 10.1128/aac.01122-10
Plasmodium vivax Plasmodium vivax IC50 6.39 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 7.26 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 7.27 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 7.7 nM 10.1128/aac.01220-10
Plasmodium vivax Plasmodium vivax IC50 7.9 nM 10.1128/aac.00801-10
Plasmodium vivax Plasmodium vivax IC50 8.0 nM 10.1128/aac.00801-10
Plasmodium vivax Plasmodium vivax IC50 8.2 nM 10.1128/aac.01511-08
Plasmodium vivax Plasmodium vivax IC50 9.2 nM 10.1128/aac.01220-10
Plasmodium vivax Plasmodium vivax IC50 10.2 nM 10.1128/aac.01220-10
Plasmodium vivax Plasmodium vivax IC50 12.1 nM 10.1128/aac.00801-10
Plasmodium vivax Plasmodium vivax IC50 12.4 nM 10.1128/aac.00801-10
Plasmodium vivax Plasmodium vivax IC50 12.5 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 17.0 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 17.4 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 22.2 nM 10.1128/aac.01334-07
Plasmodium vivax Plasmodium vivax IC50 43.0 nM 10.1128/aac.00169-08
Plasmodium vivax Plasmodium vivax IC50 69.0 nM 10.1128/aac.00169-08
Plasmodium vivax Plasmodium vivax IC50 176.0 nM 10.1128/aac.00169-08
Plasmodium yoelii Plasmodium yoelii ED50 2.3 mg.kg-1 10.1021/jm020142z
Plasmodium yoelii Plasmodium yoelii ED90 6.0 mg kg-1 10.1021/jm020142z
Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis Activity 100.0 % 10.1021/jm051130r
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 7244.9 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus L6 IC50 4760.0 nM 10.1128/aac.00425-07
Rattus norvegicus L6 IC50 11370.0 nM 10.1016/j.bmc.2007.05.042
Rattus norvegicus L6 IC50 11370.0 nM 10.1016/j.bmc.2008.05.007
Rattus norvegicus L6 IC50 11370.0 nM 10.1016/j.bmcl.2006.07.057
Rattus norvegicus Peripheral myelin protein 22 Potency 22370.3 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 36125.4 nM None
Rattus norvegicus Rattus norvegicus MTD 600.0 mg kg-1 10.1016/j.bmc.2011.11.053
Rattus norvegicus Synaptic vesicular amine transporter AC50 547.7 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 22109.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 23464.4 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.07632 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 4330.0 nM 10.1101/2020.03.20.999730
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmcl.2006.07.057
Trypanosoma cruzi Trypanosoma cruzi IC50 30000.0 nM 10.1128/aac.00425-07
None ADMET Activity 70.0 % 10.1016/j.bmc.2011.11.006
None ADMET Activity 76.0 % 10.1016/j.ejmech.2010.09.024
None ADMET Activity 77.0 % 10.1016/j.ejmech.2010.09.024
None ADMET Activity 81.0 % 10.1016/j.bmc.2011.11.006
None ADMET Activity 81.0 % 10.1016/j.ejmech.2010.09.024
None ADMET Activity 95.0 % 10.1016/j.bmc.2011.11.006
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET ED50 1.0 ug ml-1 10.1021/np50091a005
None ADMET ED50 1.1 ug ml-1 10.1021/np50091a005
None ADMET ED50 5.3 ug ml-1 10.1021/np50091a005
None ADMET ED50 7.7 ug ml-1 10.1021/np50091a005
None ADMET IC50 nan None 10.1016/j.bmc.2010.07.039
None ADMET LC50 9500.0 nM 10.1021/np200260f
None ADMET Ratio 2.0 None 10.1128/aac.01614-08
None ADMET Selectivity index 3.22 None 10.1101/2020.03.20.999730
None ADMET T1/2 1.0 hr 10.1016/j.bmcl.2010.01.001
None ADMET TC50 16.1 uM 10.1128/aac.01614-08
None ADMET TI 61.0 None 10.1016/j.bmc.2011.11.053
None ADMET TI 65.0 None 10.1016/j.bmcl.2010.05.039
None Heme Activity 3.84 None 10.1021/jm8012618
None Heme Activity nan None 10.1038/nchembio806
None Heme IC50 2.9 equiv 10.1128/aac.01466-08
None Heme IC50 476100.0 nM 10.1128/aac.01466-08
None Heme Inhibition nan % 10.1038/nchembio806
None Heme log Ks 3.17 None 10.1021/jm8012757
None Heme log Ks 3.84 None 10.1021/jm8012757
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 7.2 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 GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 18.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 25.3 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 32.5 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET EC50 4000.0 nM 10.1128/aac.01614-08
None NON-PROTEIN TARGET ED50 3.8 mg.kg-1 10.1021/jm200265b
None NON-PROTEIN TARGET fAUC/MIC 1.6 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET fCmax/MIC 0.1 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET fT>MIC 0.0 % 10.1016/j.bmcl.2013.07.006
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) 5.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 22.5 % 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 1.9 ug.mL-1 10.1016/j.bmcl.2004.11.043
None NON-PROTEIN TARGET IC50 23.8 nM 10.1128/aac.01122-10
None NON-PROTEIN TARGET IC50 3900.0 nM 10.1128/aac.01614-08
None NON-PROTEIN TARGET IC50 4000.0 nM 10.1128/aac.01614-08
None NON-PROTEIN TARGET IC50 5000.0 nM 10.1128/aac.01614-08
None NON-PROTEIN TARGET IC50 12100.0 nM 10.1016/j.bmcl.2010.05.039
None NON-PROTEIN TARGET Potency 66.8 nM None
None NON-PROTEIN TARGET RatioAUC/MIC 8.0 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET %T>MIC 0.0 % 10.1016/j.bmcl.2013.07.006
None No relevant target LogP 2.47 None 10.1128/aac.01614-08
None Unchecked Activity nan None 10.1016/j.bmc.2010.09.041
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) 1.0 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 2900.0 nM 10.1021/jm400282d
None Unchecked IC50 6180.0 nM 10.1021/jm400282d
None Unchecked IC50 46900.0 nM 10.1021/jm400282d
None Unchecked IC50 80000.0 nM 10.1021/jm400282d
None Unchecked IC50 120000.0 nM 10.1021/jm400282d
None Unchecked IC50 140000.0 nM 10.1021/jm400282d
None Unchecked IC50 200000.0 nM 10.1021/jm400282d
None Unchecked IC50 315000.0 nM 10.1021/jm400282d
None Unchecked IC50 476100.0 nM 10.1021/jm400282d
None Unchecked IFI 2.419 % 10.1073/pnas.0802982105
None Unchecked Ka 0.1 10^5/M 10.1016/j.bmc.2007.10.083
None Unchecked Ka 8.7 10^5/M 10.1016/j.bmc.2008.01.053
None Unchecked Potency 89.4 nM None
None Unchecked Potency 177.8 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 28695.4 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 0.5 None 10.1016/j.bmcl.2013.07.006
None Unchecked Ratio ED50 19.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 22.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 111.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 122.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 166.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 256.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 300.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 333.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 389.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 411.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 480.0 None 10.1021/np50098a017
None Unchecked Ratio ED50 480.0 None 10.1021/np50099a005
None Unchecked Ratio ED50 588.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 833.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 917.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 989.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 1917.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 2190.0 None 10.1021/np50098a017
None Unchecked Ratio ED50 2190.0 None 10.1021/np50099a005
None Unchecked Ratio ED50 2250.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 2500.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 3083.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 4417.0 None 10.1021/np50091a005
None Unchecked Ratio ED50 7416.0 None 10.1021/np50091a005
None Unchecked Ratio IC50 0.52 None 10.1021/jm800737y
None Unchecked Ratio IC50 0.9 None 10.1021/jm900340a
None Unchecked Ratio IC50 1.6 None 10.1021/jm900340a
None Unchecked Ratio IC50 3.78 None 10.1021/jm800737y
None Unchecked Ratio IC50 490.0 None 10.1021/np9602325
None Unchecked Ratio IC50 710.0 None 10.1021/np050510c
None Unchecked Ratio IC50 970.0 None 10.1021/np9602325
None Unchecked Ratio IC50 4380.0 None 10.1021/np050510c
None Unchecked Ratio LC50/IC50 238.0 None 10.1021/np200260f
None Unchecked Selectivity Index 0.9 None 10.1016/j.bmcl.2009.11.105
None Unchecked Selectivity Index 1.6 None 10.1016/j.bmcl.2009.11.105
None Unchecked Selectivity Index 393.0 None 10.1021/np50112a013
None Unchecked Selectivity Index 465.0 None 10.1021/np980144f
None Unchecked Selectivity Index 1080.0 None 10.1021/np980144f
None Unchecked Selectivity Index 1840.0 None 10.1021/np50112a013

Metabolism Information