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name Structure Reference Source Properties Activities Metabolism

Temozolomide

AlkaPlorer ID: AK090631

Synonym: None

IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Structure

SMILES: CN1N=NC2=C(C(N)=O)N=CN2C1=O

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InChI: InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)

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InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

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Reference

PubChem CID: 5394

CAS: 171228-49-2

NPASS: NPC480138

COCONUT: CNP0439724

Source

Species Genus Family Order Class Phylum Kingdom Domain
Phoma sp. Phoma Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 194.154

TPSA？: 108.17000000000002

MolLogP？: -2.078099999999999

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 5.77 % 10.6019/CHEMBL4513141
Bacteria DNA Activity nan None 10.1039/C6MD00384B
Candida albicans Candida albicans Inhibition 1.91 % 10.6019/CHEMBL4513141
Canis lupus familiaris MDCK Activity nan None 10.1016/j.ejmech.2016.10.037
Canis lupus familiaris MDCK IC50 775000.0 nM 10.1016/j.ejmech.2016.10.037
Canis lupus familiaris MDCK IC50 1000000.0 nM 10.1016/j.ejmech.2016.10.037
Cryptococcus neoformans Cryptococcus neoformans Inhibition -1.17 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition 6.63 % 10.6019/CHEMBL4513141
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A 172 IC50 40000.0 nM 10.1016/j.ejmech.2021.113811
Homo sapiens A2058 IC50 35500.0 nM 10.1021/jm401121k
Homo sapiens A2780 Activity nan None 10.1021/ml300132t
Homo sapiens A2780 IC50 8500.0 nM 10.1021/jm401121k
Homo sapiens A2780 IC50 183000.0 nM 10.1021/jm000950v
Homo sapiens A2780 IC50 188000.0 nM 10.1021/jm000950v
Homo sapiens A2780 IC50 250000.0 nM 10.1021/jm401121k
Homo sapiens A2780 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens A2780 IC50 368000.0 nM 10.1021/jm000950v
Homo sapiens A2780 IC50 525000.0 nM 10.1021/jm000950v
Homo sapiens A2780 PF50 2.0 None 10.1021/jm000950v
Homo sapiens A2780 PF50 2.8 None 10.1021/jm000950v
Homo sapiens A2780 Ratio IC50 27.0 None 10.1021/jm401121k
Homo sapiens A2780 Ratio IC50 27.0 None 10.1021/ml300132t
Homo sapiens A2780 Ratio IC50 30.0 None 10.1021/jm401121k
Homo sapiens A-375 IC50 75000.0 nM 10.1021/acsmedchemlett.1c00252
Homo sapiens A-375 IC50 nan None 10.1016/j.bmcl.2018.05.035
Homo sapiens A-431 IC50 366000.0 nM 10.1016/j.ejmech.2017.05.016
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens A549 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens A549 IC50 nan None 10.1016/j.bmcl.2018.05.035
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 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 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-2a adrenergic receptor AC50 30000.0 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 30000.0 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 Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens CAPAN-1 TGI 46.0 % 10.1021/acsmedchemlett.8b00569
Homo sapiens Carbonic anhydrase I Ki 50000.0 nM 10.1016/j.ejmech.2016.10.037
Homo sapiens Carbonic anhydrase II Ki 50000.0 nM 10.1016/j.ejmech.2016.10.037
Homo sapiens Carbonic anhydrase IX Ki 50000.0 nM 10.1016/j.ejmech.2016.10.037
Homo sapiens Carbonic anhydrase XII Ki 50000.0 nM 10.1016/j.ejmech.2016.10.037
Homo sapiens CCRF-CEM GI50 78342.96 nM None
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 COLO 205 GI50 100000.0 nM None
Homo sapiens COLO 205 IC50 343000.0 nM 10.1021/jm000961o
Homo sapiens COLO 205 Level 1160.0 fM mg-1 10.1021/jm000961o
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DBTRG-05MG Activity 22.29 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 22.95 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 23.42 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 24.76 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 25.43 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 31.03 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 34.67 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 35.43 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 40.56 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 42.28 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 43.53 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity 53.64 % 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG Activity nan None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 0.3 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 0.4 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 0.5 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 0.7 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 0.8 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.0 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.3 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.4 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.5 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.8 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 1.9 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 2.0 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 2.1 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 2.8 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG FC 3.3 None 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG IC50 119300.0 nM 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG IC50 354700.0 nM 10.1021/acs.jnatprod.0c00580
Homo sapiens DBTRG-05MG IC50 973900.0 nM 10.1021/acs.jnatprod.0c00580
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DLD-1 GI50 100000.0 nM None
Homo sapiens DLD-1 GI50 500000.0 nM 10.1039/C6MD00384B
Homo sapiens DLD-1 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens DMS-114 GI50 100000.0 nM None
Homo sapiens DNA Activity 57.0 % 10.1016/j.ejmech.2021.113811
Homo sapiens DNA Activity 93.0 % 10.1016/j.ejmech.2021.113811
Homo sapiens DNA polymerase kappa Potency 21192.3 nM None
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens dsDNA Activity nan None 10.1039/C6MD00384B
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-B 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GABA-B receptor 1 AC50 10000.0 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 Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GBM Activity nan None 10.1016/j.bmcl.2019.07.051
Homo sapiens GBM Activity nan None 10.1016/j.bmcl.2020.127252
Homo sapiens GBM Activity nan None 10.1016/j.ejmech.2015.08.001
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GM892A cell line IC50 7600.0 nM 10.1021/jm00009a010
Homo sapiens HaCaT IC50 75000.0 nM 10.1021/acsmedchemlett.1c00252
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 500000.0 nM 10.1039/C6MD00384B
Homo sapiens HCT-116 IC50 4340.0 nM 10.1016/j.bmc.2009.09.014
Homo sapiens HCT-116 IC50 50000.0 nM 10.1016/j.ejmech.2020.113149
Homo sapiens HCT-116 IC50 250000.0 nM 10.1021/jm401121k
Homo sapiens HCT-116 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HeLa GI50 50000.0 nM 10.1016/j.bmcl.2014.06.007
Homo sapiens HERG AC50 30000.0 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 H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -0.65 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 4.06 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 85506.67 nM None
Homo sapiens HL-60 IC50 nan None 10.1016/j.bmcl.2021.128066
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 4.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens HOP-18 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens Hs 683 Ratio IC50 nan None 10.1016/j.ejmech.2012.06.050
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens HT-29 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens HT-29 IC50 951000.0 nM 10.1021/jm000961o
Homo sapiens HT-29 Level 908.0 fM mg-1 10.1021/jm000961o
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 75857.76 nM None
Homo sapiens K562 IC50 156100.0 nM 10.1016/s0960-894x(03)00553-5
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens KM-20L2 GI50 100000.0 nM None
Homo sapiens L02 IC50 nan None 10.1016/j.bmcl.2018.05.035
Homo sapiens LN-229 Activity nan None 10.1016/j.bmc.2021.116533
Homo sapiens LN-229 IC50 67810.0 nM 10.1021/acs.jmedchem.1c00277
Homo sapiens LoVo IC50 595000.0 nM 10.1021/jm020259n
Homo sapiens LOX IMVI GI50 82035.15 nM None
Homo sapiens LXFL 529 GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MAP kinase p38 FC 1.2 None 10.1021/acs.jnatprod.0c00580
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MCF7 IC50 800000.0 nM 10.1016/s0960-894x(00)00461-3
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmcl.2018.05.035
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmcl.2021.128066
Homo sapiens MCF7 IC50 nan None 10.1021/acs.jnatprod.9b00580
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 IC50 nan None 10.1016/j.bmcl.2018.05.035
Homo sapiens MDA-MB-238 IC50 100000.0 nM 10.1016/j.ejmech.2021.113811
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 10000.0 nM None
Homo sapiens MOLT-4 GI50 83560.3 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 M2 AC50 30000.0 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 Muscarinic acetylcholine receptor M5 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscleblind-like protein 1 Potency 28183.8 nM None
Homo sapiens MX1 Activity 1.57 g 10.1016/j.ejmech.2017.03.013
Homo sapiens MX1 T/C 38.0 % 10.1016/j.ejmech.2017.03.013
Homo sapiens MX1 TGI 62.0 % 10.1016/j.ejmech.2017.03.013
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H1299 IC50 100000.0 nM 10.1016/j.ejmech.2021.113811
Homo sapiens NCI-H209 Activity 13.0 % 10.1021/acs.jmedchem.0c01346
Homo sapiens NCI-H209 Activity nan None 10.1021/acs.jmedchem.0c01346
Homo sapiens NCI-H209 TGI nan None 10.1021/acs.jmedchem.0c01346
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens Neurokinin 1 receptor 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PANC-1 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens Panel NCI-60 (60 carcinoma cell lines) GI50 100000.0 nM 10.1039/C6MD00384B
Homo sapiens PC-3 Activity nan None 10.1016/j.bmc.2019.03.025
Homo sapiens PC-3 GI50 100000.0 nM None
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 10.1021/acs.jmedchem.9b00282
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 Polyadenylate-binding protein 1 IC50 43450.0 nM None
Homo sapiens Polyadenylate-binding protein 1 IC50 66000.0 nM None
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Raji IC50 175000.0 nM 10.1021/jm00009a010
Homo sapiens Receptor protein-tyrosine kinase erbB-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens Serine/threonine-protein kinase AKT FC 0.7 None 10.1021/acs.jnatprod.0c00580
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 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 30000.0 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 6 (5-HT6) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 7 (5-HT7) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI nan None 10.1021/jm201428a
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-295 Inhibition 29.8 % 10.1016/j.ejmech.2019.111965
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SH-SY5Y Activity 15.52 % 10.1021/acs.jnatprod.1c00595
Homo sapiens SH-SY5Y Activity 41.49 % 10.1021/acs.jnatprod.1c00595
Homo sapiens SH-SY5Y Activity 96.58 % 10.1021/acs.jnatprod.1c00595
Homo sapiens SH-SY5Y Activity nan None 10.1016/j.ejmech.2019.03.048
Homo sapiens SH-SY5Y IC50 50000.0 nM 10.1016/j.bmcl.2018.05.035
Homo sapiens SH-SY5Y IC50 100000.0 nM 10.1021/acs.jnatprod.5b00969
Homo sapiens SH-SY5Y IC50 393000.0 nM 10.1021/acs.jnatprod.1c00595
Homo sapiens SH-SY5Y IC50 512620.0 nM 10.1021/acs.jnatprod.1c00595
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-30 Activity nan None 10.1016/j.ejmech.2013.09.040
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 58748.94 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 35700.0 nM 10.1039/C7MD00554G
Homo sapiens SNB-19 GI50 45600.0 nM 10.1039/C6MD00384B
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 470000.0 nM 10.1039/C7MD00554G
Homo sapiens SNB-19 GI50 526000.0 nM 10.1039/C6MD00384B
Homo sapiens SNB-19 IC50 37000.0 nM 10.1021/jm401121k
Homo sapiens SNB-19 IC50 69870.0 nM 10.1021/acs.jmedchem.1c00277
Homo sapiens SNB-19 IC50 250000.0 nM 10.1021/jm401121k
Homo sapiens SNB-19 RatioGI50 11.0 None 10.1039/C6MD00384B
Homo sapiens SNB-75 GI nan None 10.1021/jm201428a
Homo sapiens SNB-75 GI50 70957.78 nM None
Homo sapiens SNB-75 Inhibition 40.8 % 10.1016/j.ejmech.2019.111965
Homo sapiens SNB-78 GI50 100000.0 nM None
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW480 IC50 nan None 10.1016/j.bmcl.2021.128066
Homo sapiens SW480 IC50 nan None 10.1021/acs.jnatprod.9b00580
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens SW-620 TIME 1056.0 hr 10.1021/jm8001263
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens T98G Activity 50.0 % 10.1016/j.ejmech.2021.113909
Homo sapiens T98G Activity 63.0 % 10.1016/j.ejmech.2021.113909
Homo sapiens T98G Activity 100.0 % 10.1016/j.ejmech.2021.113909
Homo sapiens T98G Activity nan None 10.1016/j.ejmech.2021.113909
Homo sapiens T98G Activity nan None 10.1021/acs.jmedchem.2c00840
Homo sapiens T98G GI50 375000.0 nM 10.1016/j.ejmech.2021.113909
Homo sapiens T98G IC50 570000.0 nM 10.1016/j.bmcl.2012.04.074
Homo sapiens T98G IC50 879000.0 nM 10.1016/j.ejmech.2012.06.050
Homo sapiens T98G Ratio IC50 nan None 10.1016/j.ejmech.2012.06.050
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase ABL IC50 100000.0 nM 10.1016/s0960-894x(03)00553-5
Homo sapiens U-251 Activity 0.49 % 10.1016/j.ejmech.2021.113908
Homo sapiens U-251 Activity 1.6 % 10.1016/j.ejmech.2021.113908
Homo sapiens U-251 Activity 1.73 % 10.1016/j.ejmech.2021.113908
Homo sapiens U-251 Activity 96.18 % 10.1016/j.ejmech.2021.113908
Homo sapiens U-251 Activity nan None 10.1021/acs.jmedchem.2c00840
Homo sapiens U-251 Activity nan None None
Homo sapiens U-251 EC50 200000.0 nM 10.1016/j.ejmech.2019.111981
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens U-251 IC50 6426.0 nM 10.1016/j.ejmech.2021.113736
Homo sapiens U-251 IC50 7284.0 nM 10.1016/j.ejmech.2021.113736
Homo sapiens U-251 IC50 12740.0 nM 10.1016/j.ejmech.2021.113736
Homo sapiens U-251 IC50 30000.0 nM 10.1016/j.ejmech.2021.113908
Homo sapiens U-251 IC50 36400.0 nM 10.1016/j.bmcl.2021.128066
Homo sapiens U-251 IC50 36400.0 nM 10.1021/acs.jnatprod.9b00580
Homo sapiens U-251 IC50 100000.0 nM 10.1021/acs.jnatprod.5b00969
Homo sapiens U-251 IC50 200000.0 nM 10.1016/j.bmcl.2014.09.087
Homo sapiens U-251 IC50 250000.0 nM 10.1021/ml300132t
Homo sapiens U-251 IC50 455000.0 nM 10.1016/j.bmc.2019.03.029
Homo sapiens U-251 Inhibition nan % 10.1016/j.bmc.2020.115887
Homo sapiens U-251 Inhibition nan % 10.1016/j.bmcl.2014.09.087
Homo sapiens U373 MG GI50 68000.0 nM 10.1039/C7MD00554G
Homo sapiens U373 MG GI50 72900.0 nM 10.1039/C6MD00384B
Homo sapiens U373 MG GI50 369000.0 nM 10.1039/C7MD00554G
Homo sapiens U373 MG GI50 395000.0 nM 10.1039/C6MD00384B
Homo sapiens U373 MG RatioGI50 5.0 None 10.1039/C6MD00384B
Homo sapiens U-87 MG Activity 0.0 mm3 10.1021/acs.jmedchem.1c01522
Homo sapiens U-87 MG Activity 10.0 % 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Activity 32.44 % 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Activity 40.0 % 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Activity 57.32 % 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Activity 84.8 mm3 10.1021/acs.jmedchem.1c01522
Homo sapiens U-87 MG Activity 85.17 % 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Activity nan None 10.1021/acs.jmedchem.8b01305
Homo sapiens U-87 MG EC50 200000.0 nM 10.1016/j.ejmech.2019.111981
Homo sapiens U-87 MG IC50 50000.0 nM 10.1016/j.bmcl.2018.05.035
Homo sapiens U-87 MG IC50 200000.0 nM 10.1016/j.bmcl.2021.128371
Homo sapiens U-87 MG IC50 640000.0 nM 10.1021/acs.jnatprod.0c00038
Homo sapiens U-87 MG IC50 1100000.0 nM 10.1021/acs.jnatprod.0c00038
Homo sapiens U-87 MG IC50 2898000.0 nM 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG IC50 3186000.0 nM 10.1021/acs.jnatprod.1c00595
Homo sapiens U-87 MG Inhibition nan % 10.1021/acs.jmedchem.8b01305
Homo sapiens U-87 MG Ratio IC50 0.6 None 10.1021/acs.jnatprod.0c00038
Homo sapiens U-87 MG TGI nan None 10.1021/acs.jmedchem.8b01305
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 73960.53 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens VMM39 Activity nan None None
Homo sapiens WiDr IC50 1720000.0 nM 10.1016/j.ejmech.2015.04.004
Homo sapiens WM 266-4 IC50 100000.0 nM 10.1016/j.ejmech.2021.113811
Homo sapiens XF498 GI50 100000.0 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 7.88 % 10.6019/CHEMBL4513141
Mus musculus B16-F10 Activity 14.0 % 10.1021/jm901775y
Mus musculus B16-F10 Activity 491.0 mm3 10.1021/jm901775y
Mus musculus B16-F10 Activity 1198.0 mm3 10.1021/jm801171j
Mus musculus B16-F10 Activity 1261.0 mm3 10.1021/jm901775y
Mus musculus B16-F10 Activity 2318.0 mm3 10.1021/jm801171j
Mus musculus B16-F10 Activity 2379.0 mm3 10.1021/jm901775y
Mus musculus B16-F10 IC50 75000.0 nM 10.1016/j.bmc.2017.04.049
Mus musculus B16-F10 IC50 75000.0 nM 10.1021/acsmedchemlett.1c00252
Mus musculus B16-F10 IC50 258000.0 nM 10.1016/j.ejmech.2012.06.050
Mus musculus B16-F10 TGI 43.0 % 10.1021/jm900697r
Mus musculus B16-F10 TGI 56.0 % 10.1021/jm900697r
Mus musculus B16-F10 TGI 65.0 % 10.1021/jm801171j
Mus musculus GL261 Activity nan None 10.1016/j.ejmech.2019.03.048
Mus musculus GL261 IC50 100000.0 nM 10.1016/j.ejmech.2019.03.048
Mus musculus Mus musculus Activity 0.02 g 10.1016/j.ejmech.2017.03.013
Mus musculus Mus musculus Activity 1.0 % 10.1016/j.bmc.2012.06.021
Mus musculus Mus musculus Activity 2.0 % 10.1016/j.bmc.2012.06.021
Mus musculus Mus musculus Activity 6.0 % 10.1021/jm8001263
Mus musculus Mus musculus Activity 16.6 g 10.1021/acs.jmedchem.1c01522
Mus musculus Mus musculus GI 30.0 % 10.1016/j.bmc.2012.06.021
Mus musculus TLX-5 IC50 5000.0 nM 10.1021/jm00009a010
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 16.54 % 10.6019/CHEMBL4513141
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Astrocyte Activity nan None 10.1016/j.ejmech.2019.111981
Rattus norvegicus Blood brain barrier pBBB 2.7 10'-3cm/s 10.1007/s00044-011-9649-6
Rattus norvegicus C6 Activity nan None 10.1016/j.ejmech.2021.113564
Rattus norvegicus C6 Activity nan None 10.1021/jm201428a
Rattus norvegicus C6 EC50 16500.0 nM 10.1007/s00044-010-9356-8
Rattus norvegicus C6 EC50 60460.0 nM 10.1016/j.ejmech.2019.111981
Rattus norvegicus C6 IC50 30000.0 nM 10.1016/j.ejmech.2021.113908
Rattus norvegicus C6 IC50 34000.0 nM 10.1016/j.ejmech.2012.09.007
Rattus norvegicus C6 IC50 60460.0 nM 10.1016/j.bmcl.2014.09.087
Rattus norvegicus C6 Inhibition 12.0 % 10.1021/acsmedchemlett.0c00285
Rattus norvegicus C6 Inhibition nan % 10.1016/j.bmcl.2014.09.087
Rattus norvegicus C6 TGI 54.83 % 10.1016/j.ejmech.2021.113564
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-2 Inhibition nan % 10.1016/j.ejmech.2021.113817
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 Plasma T1/2 1.833 hr 10.1021/jm049556d
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2016.08.064
Rattus norvegicus RG2 Activity 15.48 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 18.32 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 20.81 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 22.12 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 24.46 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 26.97 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 28.32 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 31.81 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 49.55 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 52.7 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 54.71 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity 54.73 % 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 Activity nan None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 0.4 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 0.6 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 0.8 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 0.9 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.0 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.1 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.3 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.5 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.7 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.8 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 1.9 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 2.3 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC 2.5 None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 FC nan None 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 IC50 106700.0 nM 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 IC50 348200.0 nM 10.1021/acs.jnatprod.0c00580
Rattus norvegicus RG2 IC50 962500.0 nM 10.1021/acs.jnatprod.0c00580
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 4.413 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2002 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 2.71 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.001889 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 8.98 % 10.6019/CHEMBL4513141
None ADMET Activity 8.0 % 10.1021/acsmedchemlett.8b00569
None ADMET Activity 9.0 % 10.1021/acs.jmedchem.0c00821
None ADMET Activity 20.0 % 10.1021/acs.jmedchem.8b01305
None ADMET Activity nan None 10.1016/j.ejmech.2021.113564
None ADMET Activity nan None 10.1016/j.ejmech.2021.113817
None ADMET Activity nan None 10.1021/acs.jnatprod.0c00580
None ADMET Activity nan None 10.1021/jm201428a
None ADMET Alkylating activity 0.0013 None 10.1016/s0960-894x(03)00553-5
None ADMET AUC 5660.37 ng.hr/g 10.1016/j.bmcl.2016.08.064
None ADMET AUC 16853.7 ng.hr.mL-1 10.1016/j.bmcl.2016.08.064
None ADMET CL 3.6 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Cp 3103.16 ng/ml 10.1016/j.bmcl.2016.08.064
None ADMET Cp 6481.1 ng/ml 10.1016/j.bmcl.2016.08.064
None ADMET Cp 12849.91 ng/ml 10.1016/j.bmcl.2016.08.064
None ADMET Drug uptake 50.0 % 10.1016/j.bmcl.2016.08.064
None ADMET Drug uptake 912.09 ng/g 10.1016/j.bmcl.2016.08.064
None ADMET Drug uptake 2296.88 ng/g 10.1016/j.bmcl.2016.08.064
None ADMET Drug uptake 4210.41 ng/g 10.1016/j.bmcl.2016.08.064
None ADMET Drug uptake nan None 10.1016/j.bmcl.2016.08.064
None ADMET EC50 51800.0 nM 10.1007/s00044-010-9356-8
None ADMET F 100.0 % 10.1016/j.bmcl.2016.08.064
None ADMET Fu 0.5 None 10.1016/j.bmcl.2016.08.064
None ADMET IC50 1000000.0 nM 10.1016/j.bmcl.2012.04.074
None ADMET MRT 2.3 hr 10.1124/dmd.108.020479
None ADMET permeability nan None 10.1021/acs.jmedchem.9b01328
None ADMET Ratio AUC 0.34 None 10.1016/j.bmcl.2016.08.064
None ADMET Ratio AUC 20.0 None 10.1016/j.bmcl.2016.08.064
None ADMET Ratio AUC 35.0 None 10.1016/j.bmcl.2016.08.064
None ADMET T1/2 0.4167 hr 10.1021/jm049556d
None ADMET T1/2 1.5 hr 10.1124/dmd.108.020479
None ADMET T1/2 1.83 hr 10.1016/j.bmcl.2021.128321
None ADMET T1/2 1.833 hr 10.1021/jm049556d
None ADMET T1/2 8.25 hr 10.1021/jm00368a016
None ADMET Vdss 0.5 L.kg-1 10.1124/dmd.108.020479
None carcinoma cell line IC50 91000.0 nM 10.1021/jm049556d
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
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 NCI IC50 79000.0 nM 10.1021/jm049556d
None NCI IC50 93000.0 nM 10.1021/jm049556d
None NCI IC50 98000.0 nM 10.1021/jm049556d
None NCI IC50 100000.0 nM 10.1021/jm049556d
None NCI LC50 100000.0 nM 10.1021/jm049556d
None NCI TGI 100000.0 nM 10.1021/jm049556d
None NON-PROTEIN TARGET Activity 39.7 % 10.1016/j.ejmech.2016.08.057
None NON-PROTEIN TARGET Activity 42.3 % 10.1016/j.ejmech.2016.08.057
None NON-PROTEIN TARGET Activity 80.0 % 10.1039/C2MD20047C
None NON-PROTEIN TARGET Activity nan None 10.1007/s00044-011-9649-6
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2016.08.064
None NON-PROTEIN TARGET Activity nan None 10.1021/acsmedchemlett.5b00128
None NON-PROTEIN TARGET Activity nan None 10.1021/ml300132t
None NON-PROTEIN TARGET EC50 nan None 10.1021/jm500660f
None NON-PROTEIN TARGET GI 55.0 % 10.1021/acs.jmedchem.5b01767
None NON-PROTEIN TARGET GI nan None 10.1016/j.bmcl.2016.08.064
None NON-PROTEIN TARGET GI nan None 10.1016/j.ejmech.2015.10.020
None NON-PROTEIN TARGET GI50 50000.0 nM 10.1016/j.ejmech.2016.05.004
None NON-PROTEIN TARGET GI50 1000000.0 nM 10.1016/j.ejmech.2016.05.004
None NON-PROTEIN TARGET GI50 1000000.0 nM 10.1021/jm501518y
None NON-PROTEIN TARGET GI50 nan None 10.1016/j.ejmech.2016.05.004
None NON-PROTEIN TARGET GI50 nan None 10.1021/jm501518y
None NON-PROTEIN TARGET Hepatotoxicity (acute) 3.0 % 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) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 47.5 % 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 5000.0 nM 10.1021/jm020936d
None NON-PROTEIN TARGET IC50 19380.0 nM 10.1039/C4MD00264D
None NON-PROTEIN TARGET IC50 26000.0 nM 10.1016/j.ejmech.2012.09.007
None NON-PROTEIN TARGET IC50 49000.0 nM 10.1016/j.bmcl.2012.04.074
None NON-PROTEIN TARGET IC50 65000.0 nM 10.1016/j.bmcl.2012.04.074
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1021/acs.jnatprod.5b00969
None NON-PROTEIN TARGET IC50 120000.0 nM 10.1016/j.bmcl.2013.12.048
None NON-PROTEIN TARGET IC50 200000.0 nM 10.1016/j.bmcl.2014.09.087
None NON-PROTEIN TARGET IC50 220000.0 nM 10.1016/j.ejmech.2012.06.050
None NON-PROTEIN TARGET IC50 250000.0 nM 10.1021/ml300132t
None NON-PROTEIN TARGET IC50 390000.0 nM 10.1016/j.bmcl.2012.04.074
None NON-PROTEIN TARGET IC50 956000.0 nM 10.1016/j.ejmech.2012.06.050
None NON-PROTEIN TARGET Potency 53.0 nM None
None NON-PROTEIN TARGET Potency 118.8 nM None
None NON-PROTEIN TARGET Potency 236.9 nM None
None NON-PROTEIN TARGET Ratio 23.0 None 10.1021/jm00009a010
None NON-PROTEIN TARGET TGI 81.0 % 10.1016/j.bmcl.2016.05.054
None NON-PROTEIN TARGET TGI nan None 10.1021/acs.jmedchem.5b00680
None Non-small cell lung cancer cell line IC50 100000.0 nM 10.1021/jm049556d
None No relevant target Drug metabolism 0.1 10'-5/s 10.1021/ml300132t
None No relevant target Drug metabolism 14.0 10'-5/s 10.1021/ml300132t
None No relevant target Drug metabolism 46.2 10'-5/s 10.1021/ml300132t
None No relevant target LogD7.4 -1.08 None 10.6019/CHEMBL3301361
None No relevant target LogP -2.8 None 10.1016/j.ejmech.2009.12.043
None No relevant target T1/2 0.42 hr 10.1021/ml300132t
None No relevant target T1/2 1.24 hr 10.1021/jm401121k
None No relevant target T1/2 1.38 hr 10.1021/ml300132t
None No relevant target T1/2 2.0 hr 10.1016/j.ejmech.2019.03.048
None No relevant target T1/2 253.0 hr 10.1021/ml300132t
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Unchecked Ac50 0.3548 uM None
None Unchecked Ac50 1.0 uM None
None Unchecked Ac50 1.122 uM None
None Unchecked AC50 354.8 nM None
None Unchecked AC50 1000.0 nM None
None Unchecked AC50 1130.0 nM None
None Unchecked Activity 0.27 % 10.1016/j.ejmech.2021.113908
None Unchecked Activity 0.98 % 10.1016/j.ejmech.2021.113908
None Unchecked Activity 2.5 % 10.1016/j.ejmech.2021.113908
None Unchecked Activity 96.25 % 10.1016/j.ejmech.2021.113908
None Unchecked Activity nan None 10.1016/j.bmc.2021.116533
None Unchecked Activity nan None 10.1016/j.bmcl.2016.08.064
None Unchecked Activity nan None 10.1016/j.ejmech.2013.09.040
None Unchecked Activity nan None 10.1016/j.ejmech.2019.111981
None Unchecked Activity nan None 10.1016/j.ejmech.2020.113068
None Unchecked Activity nan None 10.1016/j.ejmech.2021.113908
None Unchecked Activity nan None 10.1021/acs.jmedchem.0c00821
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c00559
None Unchecked Activity nan None 10.1021/acs.jmedchem.2c00840
None Unchecked Activity nan None 10.1021/acs.jmedchem.9b00282
None Unchecked EC50 50000.0 nM 10.1021/jm500660f
None Unchecked FC 0.5 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 0.6 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 0.7 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 0.8 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 0.9 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 1.0 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 1.1 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 1.2 None 10.1021/acs.jnatprod.0c00580
None Unchecked FC 1.3 None 10.1021/acs.jnatprod.0c00580
None Unchecked GI50 280200.0 nM 10.1039/C6MD00384B
None Unchecked GI50 288800.0 nM 10.1039/C6MD00384B
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 30000.0 nM 10.1016/j.ejmech.2021.113908
None Unchecked IC50 75000.0 nM 10.1016/j.bmc.2017.04.049
None Unchecked IC50 75000.0 nM 10.1021/acsmedchemlett.1c00252
None Unchecked IC50 231000.0 nM 10.1021/jm401121k
None Unchecked IC50 250000.0 nM 10.1021/jm401121k
None Unchecked IC50 430600.0 nM 10.1021/acs.jnatprod.0c00580
None Unchecked IC50 486900.0 nM 10.1021/acs.jnatprod.0c00580
None Unchecked IC50 624800.0 nM 10.1016/j.ejmech.2019.111700
None Unchecked IC50 666400.0 nM 10.1021/acs.jnatprod.0c00580
None Unchecked IC50 1132000.0 nM 10.1016/j.ejmech.2019.111700
None Unchecked Inhibition nan % 10.1016/j.ejmech.2020.113068
None Unchecked Inhibition nan % 10.1016/j.ejmech.2021.113811
None Unchecked Potency 29092.9 nM None
None Unchecked Ratio CC50/EC50 nan None 10.1016/j.ejmech.2019.111981
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2012.06.050

Metabolism Information