Navigation

name Structure Reference Source Properties Activities Metabolism

(4-{[(9E)-6-chloro-2-methoxy-9,10-dihydroacridin-9-ylidene]amino}pentyl)diethylamine

AlkaPlorer ID: AK010392

Synonym: None

IUPAC Name: 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine

Structure

SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC2=CC=C(OC)C=C12

copy

InChI: InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)

copy

InChIKey: GPKJTRJOBQGKQK-UHFFFAOYSA-N

copy

Reference

PubChem CID: 237

CAS: 69-05-6

NPASS: NPC481841

COCONUT: CNP0205414

Properties Information

Molecule Weight: 399.9660000000002

TPSA？: 37.39

MolLogP？: 5.972400000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacteria Bacterial DNA-directed RNA polymerase IC50 20000.0 nM 10.1021/jm00230a002
Bos taurus Acetylcholinesterase Inhibition 49.0 % 10.1016/j.ejmech.2011.02.071
Bos taurus Cyclooxygenase IC50 32600.0 nM 10.1016/S0960-894X(01)81022-2
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Activity 50.0 % 10.1016/j.bmcl.2021.127815
Canis lupus familiaris MDCK Papp 1.23 ucm/s 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK Papp 2.89 ucm/s 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK Papp 3.45 ucm/s 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK Papp 6.7 ucm/s 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 3.2 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 3.9 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 5.3 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 5.5 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 14.6 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 24.5 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 27.7 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 34.8 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 35.5 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 51.0 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 75.8 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK permeability 80.2 % 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK Ratio 1.2 None 10.1016/j.ejmech.2011.04.016
Canis lupus familiaris MDCK Ratio 5.1 None 10.1016/j.ejmech.2011.04.016
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
Cavia porcellus Voltage-dependent L-type calcium channel subunit alpha-1C IC50 5600.0 nM None
Chikungunya virus Chikungunya virus Activity 12.5 % 10.1016/j.bmc.2023.117239
Chikungunya virus Chikungunya virus EC50 12000.0 nM 10.1016/j.bmc.2023.117239
Chlorocebus sabaeus Vero CC50 14710.0 nM 10.1101/2020.03.20.999730
Cricetulus griseus CHO-AA8 IC50 1700.0 nM 10.1021/jm00166a015
Cricetulus griseus UV4 IC50 140.0 nM 10.1021/jm00166a015
dengue virus type 2 dengue virus type 2 EC50 5300.0 nM 10.1016/j.ejmech.2019.05.010
Ebolavirus Ebolavirus IC50 1050.0 nM 10.1021/acsmedchemlett.0c00298
Equus caballus Cholinesterase IC50 4500.0 nM 10.1016/j.ejmech.2011.02.071
Fungi Cell membrane Activity 21.6 mM 10.1021/acs.jmedchem.0c02056
Fungi Cell membrane Activity 37.0 mM 10.1021/acs.jmedchem.0c02056
Fungi Cell membrane Activity nan None 10.1021/acs.jmedchem.0c02056
Gallus gallus Riboflavin-binding protein Kd 264.0 nM 10.1021/ml100296z
Gallus gallus Riboflavin-binding protein Ki 6700.0 nM 10.1021/ml100296z
Giardia Giardia Potency 129.6 nM None
Giardia Giardia Potency 4645.1 nM None
Homo sapiens 184B5 IC50 4960.0 nM 10.1016/j.ejmech.2017.05.052
Homo sapiens 184B5 IC50 4960.0 nM 10.1016/j.ejmech.2017.11.097
Homo sapiens 78 kDa glucose-regulated protein Potency 18492.7 nM None
Homo sapiens Acetylcholinesterase AC50 928.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 2667.0 nM None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde oxidase IC50 3300.0 nM 10.1021/jm100888d
Homo sapiens Alpha-1a adrenergic receptor AC50 1000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 2065.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 1015.0 nM None
Homo sapiens Alpha-2a adrenergic receptor AC50 11916.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 2280.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 855.0 nM None
Homo sapiens Alpha-2b adrenergic receptor IC50 1825.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 833.0 nM None
Homo sapiens Alpha-2c adrenergic receptor IC50 3857.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 560.0 nM None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor Inhibition 72.0 % 10.1073/pnas.0708036104
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 Ataxin-2 Potency 7943.3 nM None
Homo sapiens Ataxin-2 Potency 12589.3 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 1834.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2591.8 nM None
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 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 101100.0 nM 10.1124/dmd.112.047068
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 Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cerebroside-sulfatase Potency 10691.0 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Chromobox protein homolog 1 Potency 50118.7 nM None
Homo sapiens Cyclic GMP-AMP synthase IC50 7000.0 nM 10.1016/j.ejmech.2022.114480
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA polymerase iota Potency 19952.6 nM None
Homo sapiens DNA polymerase kappa Potency 37685.8 nM None
Homo sapiens DNA polymerase kappa Potency 50118.7 nM None
Homo sapiens Dopamine D1 receptor AC50 12312.6 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 D1 receptor Potency 11220.2 nM None
Homo sapiens Dopamine D1 receptor Potency 16360.1 nM None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 7047.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 1318.0 nM None
Homo sapiens Dopamine D3 receptor Ki 448.0 nM None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 18422.6 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 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 Flap endonuclease 1 Potency 10621.3 nM None
Homo sapiens Flap endonuclease 1 Potency 12589.3 nM None
Homo sapiens Flap endonuclease 1 Potency 15003.0 nM None
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 Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glutathione reductase IC50 1000000.0 nM 10.1016/s0960-894x(01)00528-5
Homo sapiens Glutathione reductase Inhibition nan % 10.1016/j.bmcl.2004.04.088
Homo sapiens Heat shock protein HSP 90-alpha Activity nan None 10.1016/j.bmcl.2006.06.025
Homo sapiens HEK293 LD50 7.6 uM 10.1016/j.bmcl.2006.06.050
Homo sapiens HEK293 Potency 20587.8 nM None
Homo sapiens HepG2 Activity 57.0 % 10.1021/jm060736s
Homo sapiens HepG2 Activity 25000000.0 RLU/mg 10.1021/jm060736s
Homo sapiens HepG2 CC50 7600.0 nM 10.1039/d0md00057d
Homo sapiens HepG2 CC50 9780.0 nM 10.1021/jm401178t
Homo sapiens HepG2 EC50 10440.0 nM 10.1021/acs.jmedchem.6b01163
Homo sapiens HepG2 EC50 10440.0 nM 10.1021/acsmedchemlett.7b00202
Homo sapiens HepG2 EC50 7653700.0 nM 10.1021/acsmedchemlett.8b00498
Homo sapiens HepG2 EC90 18.23 uM 10.1021/acs.jmedchem.6b01163
Homo sapiens HepG2 LD50 7.9 uM 10.1016/j.bmcl.2006.06.050
Homo sapiens HERG AC50 700.0 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 IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 3535.0 nM None
Homo sapiens Histamine H2 receptor Ki 3476.0 nM None
Homo sapiens Histamine H3 receptor AC50 692.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 28183.8 nM None
Homo sapiens Histone deacetylase 6 Inhibition -11.0 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 12.85 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 8436.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 15848.9 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens HT-1080 IC50 29000.0 nM 10.1016/j.bmc.2022.117043
Homo sapiens HT-29 IC50 55000.0 nM 10.1021/jm00027a008
Homo sapiens Huh-7 CC50 19610.0 nM 10.1073/pnas.0802982105
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 Isocitrate dehydrogenase [NADP] cytoplasmic Potency 15848.9 nM None
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 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 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF7 Activity nan None 10.1016/j.ejmech.2017.11.097
Homo sapiens MCF7 IC50 4190.0 nM 10.1016/j.ejmech.2017.05.052
Homo sapiens MCF7 IC50 4190.0 nM 10.1016/j.ejmech.2017.11.097
Homo sapiens MCF7 IC50 7500.0 nM 10.1016/j.ejmech.2019.01.028
Homo sapiens MCF7-DOX MDR ratio 1.3 None 10.1021/jm970786k
Homo sapiens MDA-MB-231 IC50 3250.0 nM 10.1016/j.ejmech.2017.05.052
Homo sapiens MDA-MB-231 IC50 3250.0 nM 10.1016/j.ejmech.2017.11.097
Homo sapiens MDA-MB-468 IC50 3960.0 nM 10.1016/j.ejmech.2017.05.052
Homo sapiens MDA-MB-468 IC50 3960.0 nM 10.1016/j.ejmech.2017.11.097
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
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 Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens M-phase phosphoprotein 8 Potency 23778.1 nM None
Homo sapiens Mu opioid receptor AC50 5861.7 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 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 1489.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 359.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 767.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 964.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 343.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 1255.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 266.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 1983.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 277.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 3736.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 2684.0 nM 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 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 Niemann-Pick C1 protein Potency 58047.9 nM None
Homo sapiens Norepinephrine transporter AC50 6924.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 2896.0 nM None
Homo sapiens Norepinephrine transporter Ki 2872.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 16360.1 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 26854.5 nM None
Homo sapiens P-glycoprotein 1 EC50 14400.0 nM 10.1097/00001813-199607000-00012
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 10000.0 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 1B Inhibition 14.9 % 10.1021/jm00111a048
Homo sapiens Phospholipase A2 group IIA IC50 76000000.0 nM 10.1021/jm960437a
Homo sapiens Phospholipase A2 group IIA Inhibition 48.9 % 10.1021/jm00014a032
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prion protein EC50 300.0 nM 10.1021/jm034093h
Homo sapiens Prion protein RUmax 87.3 % 10.1016/j.ejmech.2011.04.016
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Ras-related protein Rab-9A Potency 46109.1 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 21192.3 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 14689.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 16481.6 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 18492.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 26121.6 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 2261.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 2663.0 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 761.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
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 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 Serum albumin Ka 7.0 10^3/M 10.1016/j.bmc.2008.01.053
Homo sapiens SH-SY5Y IC50 8570.0 nM 10.1016/j.bmc.2022.117043
Homo sapiens SH-SY5Y Potency 3162.3 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-N-AS IC50 nan None 10.1016/j.bmc.2022.117043
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) IC50 3300.0 nM 10.1021/jm00381a019
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 73.3 % 10.1021/jm00381a019
Homo sapiens Telomerase reverse transcriptase Inhibition 50.0 % 10.1016/j.bmcl.2004.04.055
Homo sapiens Telomerase reverse transcriptase Inhibition 82.0 % 10.1016/j.bmcl.2004.04.055
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 1000.0 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 Tumor susceptibility gene 101 protein Potency 50118.7 nM None
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 4466.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5623.4 nM None
Homo sapiens U-251 IC50 5000.0 nM 10.1016/j.ejmech.2018.12.033
Homo sapiens U2OS EC 0.2 uM 10.1021/acs.jmedchem.7b01019
Homo sapiens U2OS EC50 250.0 nM 10.1016/j.ejmech.2022.114846
Homo sapiens U2OS IC50 2500.0 nM 10.1016/j.ejmech.2022.114846
Homo sapiens U2OS LD50 2.5 uM 10.1021/acs.jmedchem.7b01019
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 20969.6 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 79432.8 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 14689.2 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens WIL2-NS CC50 4800.0 nM 10.1039/d0md00057d
Leishmania infantum Trypanothione reductase IC50 13530.0 nM 10.1016/j.ejmech.2021.113915
Leishmania major 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Potency 5358.2 nM None
Mesocricetus auratus BHK-21 CC50 18590.0 nM 10.1021/acs.jmedchem.9b00775
Mesocricetus auratus BHK-21 CC50 19800.0 nM 10.1016/j.bmc.2023.117239
Mus musculus Frizzled-8 Activity nan None 10.1021/acs.jmedchem.9b02020
Mus musculus HT-22 Activity nan None 10.1016/j.bmcl.2014.02.006
Mus musculus HT-22 EC50 9090.0 nM 10.1016/j.bmcl.2014.02.006
Mus musculus Indoleamine 2,3-dioxygenase 2 Inhibition 55.0 % 10.1016/j.bmcl.2012.10.010
Mus musculus Mast cell Inhibition 8.7 % 10.1021/np010016i
Mus musculus Mast cell Inhibition 18.4 % 10.1021/np010016i
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus ED50 100.0 ug ear-1 10.1016/S0960-894X(01)81022-2
Mus musculus Mus musculus ED50 nan None 10.1016/S0960-894X(01)81022-2
Mus musculus N2a MTD 2.5 uM 10.1016/j.ejmech.2011.04.016
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Prion protein IC50 95.1 nM 10.1021/acs.jmedchem.2c00205
Mus musculus ScN2a Activity 2.5 uM 10.1016/j.bmc.2008.05.060
Mus musculus ScN2a Activity 500.0 nM 10.1021/jm060773j
Mus musculus ScN2a EC50 300.0 nM 10.1021/jm060773j
Mus musculus ScN2a EC50 500.0 nM 10.1016/j.bmcl.2006.06.050
Mus musculus ScN2a EC50 800.0 nM 10.1021/jm061045z
Mus musculus ScN2a LD50 7.8 uM 10.1021/jm061045z
Mus musculus ScN2a LD50 9.6 uM 10.1016/j.bmcl.2006.06.050
Mus musculus Transient receptor potential cation channel subfamily M member 7 Inhibition nan % None
Naja naja Phospholipase A2, acidic IC50 2150000.0 nM 10.1021/np970221r
Naja naja Phospholipase A2, acidic IC50 2160000.0 nM 10.1021/np9604339
Naja naja Phospholipase A2, acidic Inhibition 85.5 % 10.1021/np9604339
Oryctolagus cuniculus Aldehyde oxidase IC50 10000.0 nM 10.1021/jm100888d
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 Prostaglandin G/H synthase (cyclooxygenase) IC50 130000.0 nM 10.1016/S0960-894X(01)81260-9
Plasmodium berghei Plasmodium berghei Inhibition 80.0 % 10.1021/jm00140a022
Plasmodium berghei Plasmodium berghei Inhibition 92.0 % 10.1021/jm00140a022
Plasmodium falciparum Histidine-rich protein IC50 292000.0 nM 10.1128/aac.00985-06
Plasmodium falciparum Plasmodium falciparum EC50 5.0 nM 10.1016/j.bmcl.2004.12.037
Plasmodium falciparum Plasmodium falciparum EC50 8.0 nM 10.1016/j.bmcl.2004.12.037
Plasmodium falciparum Plasmodium falciparum EC50 8.13 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 11.0 nM 10.1128/aac.01418-06
Plasmodium falciparum Plasmodium falciparum EC50 14.22 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 32.0 nM 10.1016/j.bmcl.2004.12.037
Plasmodium falciparum Plasmodium falciparum EC50 33.0 nM 10.1128/aac.01418-06
Plasmodium falciparum Plasmodium falciparum IC50 13.0 nM 10.1007/s00044-007-9025-8
Plasmodium falciparum Plasmodium falciparum IC50 18.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 29.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 43.0 nM 10.1007/s00044-007-9025-8
Plasmodium falciparum Plasmodium falciparum IC50 43.0 nM 10.1016/j.ejmech.2008.02.005
Plasmodium falciparum Plasmodium falciparum IC50 41000.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/acs.jmedchem.8b01961
Plasmodium yoelii Plasmodium yoelii Activity nan None 10.1126/science.1211936
Plasmodium yoelii Plasmodium yoelii IC50 165.7 nM 10.1126/science.1211936
Plasmodium yoelii Plasmodium yoelii Schizont size 26.3 um 10.1126/science.1211936
Plasmodium yoelii yoelii Plasmodium yoelii yoelii IC50 30000.0 nM 10.1128/aac.01043-07
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 3414.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 1890.0 nM None
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 130000.0 nM 10.1016/S0960-894X(01)81022-2
Rattus norvegicus Arachidonate 5-lipoxygenase IC50 130000.0 nM 10.1016/S0960-894X(01)81260-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Phospholipase A2 group 1B IC50 100000.0 nM 10.1016/S0960-894X(01)81260-9
Rattus norvegicus Phospholipase A2 group IIA IC50 320000000.0 nM 10.1021/jm960437a
Rattus norvegicus Rattus norvegicus ED30 5.8 uM kg-1 10.1016/S0960-894X(01)81260-9
Rattus norvegicus Rattus norvegicus IC50 28800.0 nM 10.1021/jm020102v
Rattus norvegicus Rattus norvegicus IC50 31200.0 nM 10.1021/jm020102v
Rattus norvegicus Rattus norvegicus Inhibition rate 37.4 % 10.1021/jm00111a048
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 Solute carrier family 22 member 2 Activity nan None 10.1152/ajprenal.1999.277.6.f890
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 631.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 12589.3 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit IC50 5200.0 nM 10.1002/jat.2784
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae Inhibition nan % 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 2500.0 nM 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 83000.0 nM 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 50000000.0 nM 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae Ratio 1.53 None 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae Ratio 1.69 None 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae Ratio 30.0 None 10.1021/acs.jmedchem.0c02056
Saccharomyces cerevisiae Saccharomyces cerevisiae Ratio 600.0 None 10.1021/acs.jmedchem.0c02056
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -4.1 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.004903 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 50000.0 nM 10.1101/2020.03.20.999730
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.24 % 10.6019/CHEMBL4495565
Sus scrofa Phospholipase A2 group 1B IC50 100000.0 nM 10.1016/S0960-894X(01)81022-2
Trypanosoma cruzi Trypanothione reductase IC50 133000.0 nM 10.1016/s0960-894x(01)00528-5
Trypanosoma cruzi Trypanothione reductase Inhibition nan % 10.1016/j.bmcl.2004.04.088
Trypanosoma cruzi Trypanothione reductase Inhibition constant 3.22 None 10.1021/jm9603781
Trypanosoma cruzi Trypanothione reductase Ki 19000.0 nM 10.1016/j.bmcl.2009.04.060
Trypanosoma cruzi Trypanothione reductase Ki 19000.0 nM 10.1016/j.ejmech.2017.08.014
Trypanosoma cruzi Trypanothione reductase Ki 19000.0 nM 10.1021/jm990386s
Zika virus Zika virus EC50 2270.0 nM 10.1021/acs.jmedchem.9b00775
None ADMET Activity 100.0 % 10.1021/ml3003605
None ADMET Activity nan None 10.1021/jm201082a
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CC50 3920.0 nM 10.1021/jm401178t
None ADMET CL 5.1 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET eLog D 1.1 None 10.1021/jm0200409
None ADMET Fraction ionised 1.664 None 10.1021/jm0200409
None ADMET Fu 0.0002 None 10.1021/jm0200409
None ADMET Fu 0.103 None 10.1021/jm0200409
None ADMET Fu 0.103 None 10.1021/jm030408h
None ADMET Log k' -0.064 None 10.1021/jm00135a006
None ADMET Log k' 0.329 None 10.1021/jm00135a006
None ADMET Log k' 0.344 None 10.1021/jm00135a006
None ADMET Log k' 0.48 None 10.1021/jm00135a006
None ADMET Log k' 0.574 None 10.1021/jm00135a006
None ADMET Log k' 0.721 None 10.1021/jm00135a006
None ADMET Log k' 0.761 None 10.1021/jm00135a006
None ADMET Log k' 0.807 None 10.1021/jm00135a006
None ADMET Log k' 0.888 None 10.1021/jm00135a006
None ADMET Log k' 0.889 None 10.1021/jm00135a006
None ADMET log Pe -6.6 None 10.1021/jm061045z
None ADMET MRT 150.0 hr 10.1124/dmd.108.020479
None ADMET Peff 19.3 ucm/s 10.1016/j.ejmech.2011.04.016
None ADMET PPB 88.59 % 10.6019/CHEMBL3301361
None ADMET Ratio CC50/EC50 1.6 None 10.1016/j.bmc.2023.117239
None ADMET Ratio LD50/EC50 18.5 None 10.1016/j.bmcl.2006.06.050
None ADMET Selectivity index 0.29 None 10.1101/2020.03.20.999730
None ADMET T1/2 120.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 45.0 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 124.0 L.kg-1 10.1021/jm030408h
None ADMET Vdss 223.0 L.kg-1 10.1021/jm0200409
None Heme Activity nan None 10.1038/nchembio806
None Heme IC50 41000.0 nM 10.1007/s00044-007-9025-8
None Heme Inhibition nan % 10.1038/nchembio806
None Hepatocyte TC50 1.16 10'4nM 10.1128/aac.01043-07
None Hepatotoxicity DILI positive/negative 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Mast cell IC50 13700.0 nM 10.1021/np049811x
None Mast cell IC50 23300.0 nM 10.1021/np049811x
None NON-PROTEIN TARGET Activity 0.8 uM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET Activity 0.8 uM 10.1016/j.ejmech.2011.04.016
None NON-PROTEIN TARGET Activity 2.0 uM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2014.02.006
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2011.04.016
None NON-PROTEIN TARGET EC50 230.0 nM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET EC50 230.0 nM 10.1016/j.ejmech.2011.04.016
None NON-PROTEIN TARGET EC50 300.0 nM 10.1021/jm900920x
None NON-PROTEIN TARGET EC50 400.0 nM 10.1021/ml3003605
None NON-PROTEIN TARGET EC50 420.0 nM 10.1021/jm900920x
None NON-PROTEIN TARGET EC50 460.0 nM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET EC50 590.0 nM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET EC50 590.0 nM 10.1016/j.ejmech.2011.04.016
None NON-PROTEIN TARGET EC50 936.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET EC50 1880.0 nM 10.1016/j.bmc.2008.05.060
None NON-PROTEIN TARGET EC50 1880.0 nM 10.1016/j.ejmech.2011.04.016
None NON-PROTEIN TARGET EC50 2120.0 nM 10.1016/j.ejmech.2016.10.024
None NON-PROTEIN TARGET EC50 11900.0 nM 10.1016/j.ejmech.2016.10.024
None NON-PROTEIN TARGET EC50 nan None 10.1038/nchembio873
None NON-PROTEIN TARGET Fu 0.13 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.1 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 1100.0 nM 10.1016/j.bmcl.2010.12.132
None NON-PROTEIN TARGET Selectivity Index 11.0 None 10.1016/j.bmc.2008.05.060
None No relevant target LogD 1.911 None 10.1021/jm00135a006
None No relevant target LogD 1.966 None 10.1021/jm00135a006
None No relevant target LogD 1.986 None 10.1021/jm00135a006
None No relevant target LogD 2.219 None 10.1021/jm00135a006
None No relevant target LogD7.4 2.17 None 10.6019/CHEMBL3301361
None No relevant target pKa 7.73 None 10.1021/jm030408h
None No relevant target pKa 10.2 None 10.1021/jm0200409
None No relevant target pKa 10.2 None 10.1021/jm030408h
None No relevant target pKa 10.2 None 10.1021/jm070524a
None No relevant target Solubility 400000.0 nM 10.1021/jm061045z
None Nucleic Acid Inhibition nan % 10.1016/j.bmcl.2011.12.103
None Nucleic Acid Log Kd 4.25 None 10.1021/jm00370a007
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked CC50 2.34 nM 10.1021/acsmedchemlett.7b00230
None Unchecked EC50 4230.0 nM 10.1021/acs.jmedchem.6b01163
None Unchecked EC50 4230.0 nM 10.1021/acsmedchemlett.7b00202
None Unchecked EC50 2974100.0 nM 10.1021/acsmedchemlett.8b00498
None Unchecked EC90 9.94 uM 10.1021/acs.jmedchem.6b01163
None Unchecked Hepatotoxicity (acute) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 739.0 nM None
None Unchecked IC50 1076.0 nM None
None Unchecked IC50 1275.0 nM None
None Unchecked IC50 1521.0 nM None
None Unchecked IC50 16990.0 nM 10.1016/j.bmcl.2020.127371
None Unchecked IC50 19000.0 nM 10.1016/j.bmcl.2021.128289
None Unchecked IC50 73000.0 nM 10.1016/j.bmcl.2004.05.031
None Unchecked IC50 370000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked IC50 1000000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked IC50 1600000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked IC50 3490000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked IC50 nan None None
None Unchecked IFI 6.952 % 10.1073/pnas.0802982105
None Unchecked Inhibition 75.0 % 10.1016/j.bmcl.2004.04.055
None Unchecked Inhibition 80.0 % 10.1016/j.bmcl.2004.04.055
None Unchecked Inhibition 93.0 % 10.1016/j.bmcl.2004.04.055
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.0c02056
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.8b01961
None Unchecked Kd 7550.0 nM 10.1021/acsmedchemlett.0c00298
None Unchecked Ki 719.0 nM None
None Unchecked Ki 956.0 nM None
None Unchecked Ki 1014.0 nM None
None Unchecked Ki 1163.0 nM None
None Unchecked Ki nan None None
None Unchecked Km 750000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked Km 770000.0 nM 10.1021/acs.jmedchem.0c02056
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 6510.4 nM None
None Unchecked Potency 6513.1 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Ratio 11.5 None 10.1021/jm00166a015
None Unchecked Selectivity 7.5 None 10.1016/s0960-894x(01)00528-5
None Unchecked Selectivity Index 0.38 None 10.1128/aac.01043-07
None Unchecked Vmax 113.0 nmol/min 10.1021/acs.jmedchem.0c02056
None Unchecked Vmax 158.0 nmol/min 10.1021/acs.jmedchem.0c02056

Metabolism Information