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name Structure Reference Source Properties Activities Metabolism

Amsacrine

AlkaPlorer ID: AK146931

Synonym: None

IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide

Structure

SMILES: COC1=CC(NS(C)(=O)=O)=CC=C1N=C1C2=CC=CC=C2NC2=C1C=CC=C2

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InChI: InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)

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InChIKey: XCPGHVQEEXUHNC-UHFFFAOYSA-N

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Reference

PubChem CID: 2179

NPASS: NPC473432

COCONUT: CNP0423584

Properties Information

Molecule Weight: 393.4680000000001

TPSA？: 83.54999999999998

MolLogP？: 3.933600000000002

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Bacillus subtilis (strain 168) DNA polymerase III Potency 29934.9 nM None
Bacteria DNA Activity nan None 10.1021/acs.jmedchem.8b01938
Bacteria DNA Inhibition nan % 10.1016/j.ejmech.2018.01.010
Bacteria DNA Inhibition nan % 10.1016/j.ejmech.2018.02.041
Bos taurus Bos taurus pKa 7.4 None 10.1021/jm00105a014
Bos taurus Calf thymus DNA Activity nan None 10.1021/acs.jmedchem.8b01938
Bos taurus Calf thymus DNA EC50 11000.0 nM 10.1016/0960-894X(96)00230-2
Bos taurus Calf thymus DNA EC50 11000.0 nM 10.1021/jm9708083
Bos taurus Calf thymus DNA Inhibition nan % 10.1016/j.bmc.2018.09.021
Bos taurus Calf thymus DNA Inhibition nan % 10.1021/acs.jmedchem.9b00970
Bos taurus Calf thymus DNA Kb 1.36 10'5/M 10.1016/j.bmc.2018.06.016
Bos taurus Calf thymus DNA Kb 1.36 10'5/M 10.1016/j.ejmech.2016.03.066
Bos taurus Calf thymus DNA Log K 5.57 None 10.1021/jm00137a009
Bos taurus Calf thymus DNA Log K 5.57 None 10.1021/jm00159a035
Bos taurus Calf thymus DNA Log K 5.57 None 10.1021/jm00387a012
Bos taurus Calf thymus DNA Log K 5.57 None 10.1021/jm00392a009
Bos taurus Calf thymus DNA Log K 5.65 None 10.1021/jm00387a012
Bos taurus Calf thymus DNA Q 3.8 uM 10.1021/jm00018a009
Bos taurus Calf thymus DNA Ratio 0.3 None 10.1016/j.bmc.2010.04.074
Bos taurus Calf thymus DNA Ratio 0.3 None 10.1016/j.ejmech.2010.08.061
Bos taurus Calf thymus DNA Tm shift 1.0 degrees C 10.1021/jm00018a009
Cricetulus griseus CHO-AA8 IC50 0.6 nM 10.1021/jm00121a007
Cricetulus griseus DC3F IC50 4.0 nM 10.1021/jm00017a006
Cricetulus griseus DC3F/AD-II IC50 47.0 nM 10.1021/jm00017a006
Cricetulus griseus V79 IC50 5800.0 nM 10.1016/j.bmc.2012.04.007
Cricetulus griseus XRS6 IC50 240.0 nM 10.1021/jm00022a016
Homo sapiens 2008 IC50 4310.0 nM 10.1016/j.bmc.2008.11.072
Homo sapiens 786-0 GI50 149.62 nM None
Homo sapiens 78 kDa glucose-regulated protein Potency 58478.9 nM None
Homo sapiens A2780 GI50 27.0 nM 10.1021/acsmedchemlett.9b00557
Homo sapiens A2780 IC50 100.0 nM 10.1021/jm00018a009
Homo sapiens A2780 IC50 350.0 nM 10.1016/s0960-894x(97)10207-4
Homo sapiens A-431 IC50 170.0 nM 10.1016/j.bmc.2010.12.037
Homo sapiens A-431 IC50 5890.0 nM 10.1016/j.bmc.2008.11.072
Homo sapiens A498 GI50 291.74 nM None
Homo sapiens A549 Activity 2.8 % 10.1039/c9md00597h
Homo sapiens A549 Activity 16.1 % 10.1039/c9md00597h
Homo sapiens A549 Activity nan None 10.1039/c9md00597h
Homo sapiens A549 GI50 48.98 nM None
Homo sapiens A549 IC50 30.0 nM 10.1021/jm9909490
Homo sapiens A549 IC50 3520.0 nM 10.1016/j.bmc.2008.11.072
Homo sapiens A549 IC50 5960.0 nM 10.1016/j.ejmech.2016.03.066
Homo sapiens A549 IC50 22200.0 nM 10.1039/c9md00597h
Homo sapiens A549 IC50 nan None 10.1016/j.bmc.2017.04.030
Homo sapiens ACHN GI50 52.48 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 Aldehyde oxidase IC50 3200.0 nM 10.1021/jm100888d
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 1300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 2800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-galactosidase A Potency 44668.4 nM None
Homo sapiens Ataxin-2 Potency 354.8 nM None
Homo sapiens Ataxin-2 Potency 19952.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 14575.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 20587.8 nM None
Homo sapiens Beta-1 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 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor AC50 8900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens BT-549 GI50 1037.53 nM None
Homo sapiens CAKI-1 GI50 97.27 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Caspase-1 Potency 15848.9 nM None
Homo sapiens Caspase-7 Potency 15848.9 nM None
Homo sapiens CCRF-CEM Activity 68.0 % 10.1016/j.bmc.2008.02.063
Homo sapiens CCRF-CEM GI50 56.1 nM None
Homo sapiens CCRF-CEM IC50 30.0 nM 10.1016/j.bmcl.2019.126714
Homo sapiens CCRF-CEM IC50 130.0 nM 10.1016/j.bmc.2008.02.063
Homo sapiens CCRF-CEM IC50 139.0 nM 10.1021/jm00017a006
Homo sapiens CCRF-CEM IC50 180.0 nM 10.1016/j.ejmech.2016.03.066
Homo sapiens CCRF-CEM IC50 130000.0 nM 10.1021/jm030253d
Homo sapiens CCRF-CEM IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens Cellular tumor antigen p53 Potency 1000.0 nM None
Homo sapiens Cellular tumor antigen p53 Potency 7943.3 nM None
Homo sapiens CEM-VLB IC50 520.0 nM 10.1021/jm00017a006
Homo sapiens CEM-VM1 IC50 1910.0 nM 10.1021/jm00017a006
Homo sapiens Cholecystokinin A receptor AC50 21999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 79432.8 nM None
Homo sapiens COLO 205 GI50 2857.59 nM None
Homo sapiens COLO 205 IC50 1100.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens Cyclooxygenase-2 AC50 2900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 1A2 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 10200.0 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 2D6 IC50 10500.0 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 Ki 7500.0 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 3A4 AC50 19952.62 nM None
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Potency 19952.6 nM None
Homo sapiens Delta opioid receptor AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DLD-1 GI50 2786.12 nM None
Homo sapiens DLD-1 IC50 80.0 nM 10.1016/j.bmc.2008.07.015
Homo sapiens DLD-1 IC50 570.0 nM 10.1016/j.bmc.2008.07.015
Homo sapiens DMS-114 GI50 184.5 nM None
Homo sapiens DMS-273 GI50 65.92 nM None
Homo sapiens DNA Activity nan None 10.1039/c9md00597h
Homo sapiens DNA topoisomerase I Activity nan None 10.1016/j.ejmech.2016.09.019
Homo sapiens DNA topoisomerase I Activity nan None 10.1016/j.ejmech.2017.11.011
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2013.08.040
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2021.113817
Homo sapiens DNA topoisomerase II Activity nan None 10.1021/jm00137a004
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1016/0960-894X(95)00043-S
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1016/0960-894X(95)00044-T
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1016/0960-894X(95)00160-U
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1016/0960-894X(96)00230-2
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1016/S0960-894X(00)80048-7
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1021/jm00071a010
Homo sapiens DNA topoisomerase II EC50 720.0 nM 10.1021/jm9708083
Homo sapiens DNA topoisomerase II IC50 1000.0 nM 10.1021/jm00017a006
Homo sapiens DNA topoisomerase II IC90 33000.0 nM 10.1021/jm00022a016
Homo sapiens DNA topoisomerase II IC90 33000.0 nM 10.1021/jm00048a017
Homo sapiens DNA topoisomerase II Uncut DNA 1.0 % 10.1016/s0960-894x(97)10207-4
Homo sapiens DNA topoisomerase II Uncut DNA 4.0 % 10.1016/s0960-894x(97)10207-4
Homo sapiens DNA topoisomerase II Uncut DNA 12.0 % 10.1016/s0960-894x(97)10207-4
Homo sapiens DNA topoisomerase II alpha Activity 8.5 uM 10.1016/j.bmcl.2016.12.011
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.bmcl.2007.09.042
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.bmcl.2016.09.031
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.bmcl.2016.12.011
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.ejmech.2008.12.011
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.ejmech.2015.01.038
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.ejmech.2019.01.015
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1021/jm900627v
Homo sapiens DNA topoisomerase II alpha IC50 9940.0 nM 10.1016/j.bmc.2009.03.052
Homo sapiens DNA topoisomerase II alpha IC50 16000.0 nM 10.1039/c9md00597h
Homo sapiens DNA topoisomerase II alpha INH 0.05 mM 10.1016/j.bmcl.2012.08.032
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmc.2012.03.071
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmc.2018.06.016
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmcl.2016.09.031
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmcl.2016.12.011
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.ejmech.2017.05.023
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.ejmech.2018.06.004
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.ejmech.2019.111592
Homo sapiens DNA topoisomerase II beta EC50 11000.0 nM 10.1016/0960-894X(95)00044-T
Homo sapiens DNA topoisomerase II beta IC50 2760.0 nM 10.1016/j.ejmech.2018.03.026
Homo sapiens DNA topoisomerase II beta Unwinding nan None 10.1021/jm00126a025
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor Potency 163.6 nM None
Homo sapiens Dopamine D1 receptor Potency 1122.0 nM None
Homo sapiens Dopamine D2 receptor AC50 6900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DU-145 GI50 65.46 nM None
Homo sapiens DU-145 IC50 300.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens EKVX GI50 2079.7 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 AC50 29000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Flap endonuclease 1 Potency 5972.8 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 Ghrelin 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 HCC1937 IC50 7850.0 nM 10.1016/j.ejmech.2017.07.050
Homo sapiens HCC 2998 GI50 1244.51 nM None
Homo sapiens HCT-116 GI50 954.99 nM None
Homo sapiens HCT-116 IC50 700.0 nM 10.1016/j.bmcl.2007.02.065
Homo sapiens HCT-116 IC50 1000.0 nM 10.1016/j.bmc.2018.06.016
Homo sapiens HCT-116 IC50 3890.0 nM 10.1016/j.ejmech.2017.07.050
Homo sapiens HCT-116 IC50 6300.0 nM 10.1021/jm00022a016
Homo sapiens HCT-116 IC50 6300.0 nM 10.1021/jm00048a017
Homo sapiens HCT-15 GI50 716.14 nM None
Homo sapiens HCT-15 IC50 300.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens HCT-8 IC50 120.0 nM 10.1021/jm00159a035
Homo sapiens HCT-8 IC50 120.0 nM 10.1021/jm00387a012
Homo sapiens HCT-8 IC50 300.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens HEK293 Potency 580.2 nM None
Homo sapiens HeLa GI50 31.0 nM 10.1021/acsmedchemlett.9b00557
Homo sapiens HeLa IC50 12.0 nM 10.1016/j.bmc.2007.11.063
Homo sapiens HeLa IC50 12.0 nM 10.1016/j.bmc.2010.12.037
Homo sapiens HeLa IC50 340.0 nM 10.1016/j.ejmech.2016.03.066
Homo sapiens HeLa IC50 9500.0 nM 10.1016/j.bmc.2007.10.084
Homo sapiens HeLa IC50 9500.0 nM 10.1016/j.bmc.2009.03.052
Homo sapiens HeLa IC50 19190.0 nM 10.1016/j.bmc.2017.04.030
Homo sapiens HepG2 IC50 5210.0 nM 10.1016/j.bmc.2017.04.030
Homo sapiens HepG2 IC50 relative 2700.0 nM 10.6019/EOS300108
Homo sapiens HERG AC50 970.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 208.93 nM 10.1016/j.ejmech.2010.11.042
Homo sapiens HERG IC50 210.0 nM 10.1016/j.bmc.2008.01.017
Homo sapiens Histamine H1 receptor AC50 9499.9 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 30000.0 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 IC50 379700000.0 nM 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 76.6 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 96.64 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition nan % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 11917.3 nM None
Homo sapiens HL-60 GI50 51.88 nM None
Homo sapiens HL-60 IC50 5.1 nM 10.1016/j.bmc.2007.11.063
Homo sapiens HL-60 IC50 6.0 nM 10.1016/j.bmc.2010.12.037
Homo sapiens HL-60 IC50 21.0 nM 10.1021/jm00017a006
Homo sapiens HL-60 IC50 80.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens HL-60 IC50 400.0 nM 10.1016/s0960-894x(97)10207-4
Homo sapiens HL-60 IC50 1150.0 nM 10.1016/j.bmc.2008.11.072
Homo sapiens HOP-18 GI50 699.84 nM None
Homo sapiens HOP-62 GI50 83.95 nM None
Homo sapiens HOP-92 GI50 523.6 nM None
Homo sapiens Hs-578T GI50 1794.73 nM None
Homo sapiens Hs-578T IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens HT-1080 GI50 1600.0 nM 10.1016/j.ejmech.2008.02.017
Homo sapiens HT-1080 GI50 1600.0 nM 10.1016/j.ejmech.2012.03.011
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 GI50 1770.11 nM None
Homo sapiens HT-29 GI50 16800.0 nM 10.1016/j.ejmech.2008.02.017
Homo sapiens HT-29 GI50 16800.0 nM 10.1016/j.ejmech.2012.03.011
Homo sapiens HT-29 IC50 559.0 nM 10.1021/np50063a010
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 5011.9 nM None
Homo sapiens IGROV-1 GI50 2404.36 nM None
Homo sapiens Jurkat IC50 20.0 nM 10.1016/j.bmc.2008.07.015
Homo sapiens Jurkat IC50 37.0 nM 10.1021/jm010041l
Homo sapiens Jurkat IC50 37.0 nM 10.1021/jm970004n
Homo sapiens Jurkat IC50 37.0 nM 10.1021/jm980687m
Homo sapiens Jurkat IC50 80.0 nM 10.1016/j.bmc.2008.07.015
Homo sapiens Jurkat IC50 200.0 nM 10.1021/jm970232h
Homo sapiens Jurkat IC50 1000.0 nM 10.1021/jm00036a014
Homo sapiens Jurkat IC50 ratio 74.0 None 10.1021/jm010041l
Homo sapiens Jurkat IC50 ratio 85.0 None 10.1021/jm010041l
Homo sapiens Jurkat Ratio 73.7 None 10.1021/jm970004n
Homo sapiens Jurkat Ratio 74.0 None 10.1021/jm980687m
Homo sapiens Jurkat Ratio 84.9 None 10.1021/jm970004n
Homo sapiens Jurkat Ratio 85.0 None 10.1021/jm980687m
Homo sapiens Jurkat TI 1.5 None 10.1021/jm00036a014
Homo sapiens K562 GI50 901.57 nM None
Homo sapiens K562 IC50 23.0 nM 10.1021/np070332i
Homo sapiens K562 IC50 710.0 nM 10.1016/j.bmcl.2019.126714
Homo sapiens K562 IC50 880.0 nM 10.1016/j.bmc.2017.04.030
Homo sapiens K562 IC50 13800.0 nM 10.1039/c9md00597h
Homo sapiens K562 IC50 19900.0 nM 10.1016/j.bmc.2007.10.084
Homo sapiens K562 IC50 19900.0 nM 10.1016/j.bmc.2009.03.052
Homo sapiens K562 IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens Kappa opioid receptor AC50 7000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens KM12 GI50 1435.49 nM None
Homo sapiens KM-20L2 GI50 1452.11 nM None
Homo sapiens Liver microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
Homo sapiens LOX IMVI GI50 178.65 nM None
Homo sapiens LXFL 529 GI50 3318.94 nM None
Homo sapiens M14 GI50 266.07 nM None
Homo sapiens M19-MEL GI50 1887.99 nM None
Homo sapiens M21 GI50 49600.0 nM 10.1016/j.ejmech.2008.02.017
Homo sapiens M21 GI50 49600.0 nM 10.1016/j.ejmech.2012.03.011
Homo sapiens Malme-3M GI50 610.94 nM None
Homo sapiens MCF7 GI50 103.28 nM None
Homo sapiens MCF7 GI50 5600.0 nM 10.1016/j.ejmech.2008.02.017
Homo sapiens MCF7 GI50 5600.0 nM 10.1016/j.ejmech.2012.03.011
Homo sapiens MCF7 IC50 75.0 nM 10.1021/jm9909490
Homo sapiens MCF7 IC50 910.0 nM 10.1016/j.ejmech.2019.111592
Homo sapiens MCF7 IC50 5130.0 nM 10.1016/j.bmc.2008.11.072
Homo sapiens MCF7 IC50 8700.0 nM 10.1016/j.ejmech.2017.07.050
Homo sapiens MCF7 IC50 21700.0 nM 10.1016/j.bmc.2007.11.051
Homo sapiens MCF7 IC50 21700.0 nM 10.1016/j.bmcl.2007.02.065
Homo sapiens MCF7 IC50 26760.0 nM 10.1016/j.ejmech.2016.03.066
Homo sapiens MDA-MB-231 GI50 2409.91 nM None
Homo sapiens MDA-MB-231 IC50 140.0 nM 10.1021/jm9909490
Homo sapiens MDA-MB-231 IC50 10050.0 nM 10.1016/j.bmc.2018.06.016
Homo sapiens MDA-MB-231 IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens MDA-MB-435 GI50 4539.42 nM None
Homo sapiens MDA-MB-435 IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens MDA-MB-468 IC50 490.0 nM 10.1021/jm9909490
Homo sapiens MDA-MB-468 IC50 8500.0 nM 10.1016/j.bmcl.2007.02.065
Homo sapiens MDA-N GI50 3318.94 nM None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MOLT-4 GI50 33.19 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 MRC5 IC50 15400.0 nM 10.1039/c9md00597h
Homo sapiens MSTO-211H GI50 19.0 nM 10.1021/acsmedchemlett.9b00557
Homo sapiens Multidrug resistance-associated protein 4 IC50 7430.0 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 7900.1 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 8600.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MX1 IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens NCI/ADR-RES GI50 3419.79 nM None
Homo sapiens NCI/ADR-RES IC50 1165.0 nM 10.1021/jm9909490
Homo sapiens NCI-H226 GI50 124.74 nM None
Homo sapiens NCI-H226 IC50 1010.0 nM 10.1021/jm9909490
Homo sapiens NCI-H23 GI50 152.41 nM None
Homo sapiens NCI-H322M GI50 3775.72 nM None
Homo sapiens NCI-H322M IC50 210.0 nM 10.1021/jm9909490
Homo sapiens NCI-H358 IC50 150.0 nM 10.1021/jm9909490
Homo sapiens NCI-H460 GI50 27.99 nM None
Homo sapiens NCI-H460 IC50 60.0 nM 10.1021/jm9909490
Homo sapiens NCI-H460 IC50 200.0 nM 10.1021/jm9909490
Homo sapiens NCI-H522 GI50 668.34 nM None
Homo sapiens NCI-H647 IC50 70.0 nM 10.1021/jm9909490
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 9299.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 11582.1 nM None
Homo sapiens OVCAR-3 Activity 1.8 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 12.7 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 41.3 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 44.7 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 GI50 2673.01 nM None
Homo sapiens OVCAR-4 GI50 4045.76 nM None
Homo sapiens OVCAR-5 GI50 1581.25 nM None
Homo sapiens OVCAR-8 GI50 571.48 nM None
Homo sapiens OVCAR-8 IC50 1400.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens PBMC IC50 21700.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens PC-3 GI50 414.95 nM None
Homo sapiens PC-3 IC50 3300.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 6200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 26999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 Ras-related protein Rab-9A Potency 73078.0 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 37685.8 nM None
Homo sapiens RPMI-8226 GI50 351.56 nM None
Homo sapiens RXF 393 GI50 1552.39 nM None
Homo sapiens RXF 631 GI50 509.33 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 130.9 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 521.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 3689.8 nM None
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 30000.0 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 3a (5-HT3a) receptor AC50 8000.0 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 414.95 nM None
Homo sapiens SF-295 GI50 104.47 nM None
Homo sapiens SF-295 IC50 500.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens SF-539 GI50 207.49 nM None
Homo sapiens SH-SY5Y Potency 2818.4 nM None
Homo sapiens Signal transducer and activator of transcription 6 Potency 25118.9 nM None
Homo sapiens SK-BR-3 IC50 60.0 nM 10.1021/jm9909490
Homo sapiens SK-MEL-2 GI50 3698.28 nM None
Homo sapiens SK-MEL-28 GI50 2588.21 nM None
Homo sapiens SK-MEL-5 GI50 319.15 nM None
Homo sapiens SK-OV-3 GI50 398.11 nM None
Homo sapiens SN12C GI50 130.92 nM None
Homo sapiens SN12K1 GI50 106.41 nM None
Homo sapiens SNB-19 GI50 295.8 nM None
Homo sapiens SNB-75 GI50 402.72 nM None
Homo sapiens SNB-78 GI50 3971.92 nM None
Homo sapiens Solute carrier family 22 member 1 IC50 5000.0 nM 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 1 Inhibition 68.4 % 10.1021/jm8003152
Homo sapiens SR GI50 38.28 nM None
Homo sapiens SW480 IC50 27700.0 nM 10.1016/j.bmc.2007.10.084
Homo sapiens SW480 IC50 27700.0 nM 10.1016/j.bmc.2009.03.052
Homo sapiens SW-620 GI50 561.05 nM None
Homo sapiens SW-620 IC50 300.0 nM 10.1016/j.bmc.2012.04.007
Homo sapiens SW-620 IC50 16700.0 nM 10.1016/j.bmc.2007.10.084
Homo sapiens SW-620 IC50 16700.0 nM 10.1016/j.bmc.2009.03.052
Homo sapiens T47D GI50 440.55 nM None
Homo sapiens T47D IC50 220.0 nM 10.1021/jm9909490
Homo sapiens T47D IC50 940.0 nM 10.1016/j.ejmech.2019.111592
Homo sapiens Thrombopoietin Potency 2511.9 nM None
Homo sapiens Thromboxane A2 receptor AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Homo sapiens TK-10 GI50 2630.27 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens U-251 GI50 165.96 nM None
Homo sapiens U-937 IC50 80.0 nM 10.1016/j.bmcl.2019.126714
Homo sapiens U-937 IC50 610.0 nM 10.1016/j.bmc.2017.04.030
Homo sapiens U-937 IC50 610.0 nM 10.1016/j.bmc.2018.06.016
Homo sapiens UACC-257 GI50 2951.21 nM None
Homo sapiens UACC-62 GI50 285.1 nM None
Homo sapiens UACC-62 IC50 nan None 10.1016/j.bmc.2012.04.007
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 562.3 nM None
Homo sapiens UO-31 GI50 660.69 nM None
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 XF498 GI50 753.36 nM None
Homo sapiens ZR-75-1 IC50 180.0 nM 10.1021/jm9909490
Leishmania major Leishmania major IC50 1500.0 nM 10.1021/jm970232h
Leishmania major Leishmania major Therapeutic index 0.1 None 10.1021/jm970232h
Mus musculus J774 IC50 900.6 nM 10.1016/0960-894X(95)00300-I
Mus musculus J774.2 IC50 1353.9 nM 10.1016/0960-894X(95)00300-I
Mus musculus J774.2 IC50 1485.2 nM 10.1016/0960-894X(95)00300-I
Mus musculus L1210 Activity 6.7 mg/kg/day 10.1021/jm00199a002
Mus musculus L1210 Activity 12.0 mg/kg/day 10.1021/jm00228a007
Mus musculus L1210 GI 6.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 8.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 29.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 42.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 50.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 57.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 75.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 82.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 87.0 % 10.1021/jm00230a002
Mus musculus L1210 GI 92.0 % 10.1021/jm00230a002
Mus musculus L1210 IC50 33.0 nM 10.1021/jm00159a035
Mus musculus L1210 IC50 33.0 nM 10.1021/jm00387a012
Mus musculus L1210 IC50 50.0 nM 10.1021/jm00018a009
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00352a027
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00365a013
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00365a014
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00369a021
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00369a022
Mus musculus L1210 ID50 35.0 nM 10.1021/jm00374a020
Mus musculus L1210 ILS 27.0 % 10.1021/jm00214a012
Mus musculus L1210 ILS 27.0 % 10.1021/jm00218a001
Mus musculus L1210 ILS 114.0 % 10.1021/jm00205a013
Mus musculus L1210 ILS 114.0 % 10.1021/jm00214a012
Mus musculus L1210 ILS 114.0 % 10.1021/jm00218a001
Mus musculus L1210 ILSmax 111.0 % 10.1021/jm00350a004
Mus musculus L1210 ILSmax 114.0 % 10.1021/jm00199a002
Mus musculus L1210 Log 1/D50 5.09 None 10.1021/jm00345a015
Mus musculus L1210 OD 6.7 mg kg-1 10.1021/jm00369a022
Mus musculus L1210 T/C 196.0 % 10.1021/jm00228a007
Mus musculus L5178Y Induced frequency 439.0 None 10.1021/jm00166a022
Mus musculus L5178Y Induced frequency 733.0 None 10.1021/jm00166a022
Mus musculus L5178Y Mean value 53.0 None 10.1021/jm00166a022
Mus musculus L5178Y Mean value 57.7 None 10.1021/jm00166a022
Mus musculus L5178Y Mutation frequency 577.0 10e6 F 10.1021/jm00166a022
Mus musculus L5178Y Mutation frequency 862.0 10e6 F 10.1021/jm00166a022
Mus musculus L5178Y Relative activity 10.0 None 10.1021/jm00166a022
Mus musculus L5178Y Relative activity 67.0 None 10.1021/jm00166a022
Mus musculus L5178Y Relative toxicity 62.0 None 10.1021/jm00166a022
Mus musculus L5178Y Viability 12.3 None 10.1021/jm00166a022
Mus musculus L5178Y Viability 20.0 None 10.1021/jm00166a022
Mus musculus Lewis lung carcinoma cell line D50 nan None 10.1021/jm00159a035
Mus musculus Lewis lung carcinoma cell line IC50 12.0 nM 10.1021/jm010041l
Mus musculus Lewis lung carcinoma cell line IC50 12.0 nM 10.1021/jm980687m
Mus musculus Lewis lung carcinoma cell line ILSmax 42.0 % 10.1021/jm00159a035
Mus musculus Lewis lung carcinoma cell line ILSmax 42.0 % 10.1021/jm00387a012
Mus musculus Lewis lung carcinoma cell line OD 13.3 mg kg-1 10.1021/jm00159a035
Mus musculus LLTC cell line IC50 12.0 nM 10.1021/jm970004n
Mus musculus Mus musculus Activity 6.7 mg kg-1 10.1021/jm00214a012
Mus musculus Mus musculus Activity 6.7 mg kg-1 10.1021/jm00218a001
Mus musculus Mus musculus Activity 6.7 mg/kg/day 10.1021/jm00205a013
Mus musculus Mus musculus Average survival 7.6 day 10.1021/jm9901226
Mus musculus Mus musculus Average survival 12.2 day 10.1021/jm9901226
Mus musculus Mus musculus Average survival 14.1 day 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -4.3 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -3.8 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -3.2 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -2.1 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -1.4 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change -0.7 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change 0.1 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change 22.7 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change 22.8 g 10.1021/jm9901226
Mus musculus Mus musculus Average weight change 24.5 g 10.1021/jm9901226
Mus musculus Mus musculus AWC -2.1 g 10.1021/jm00017a006
Mus musculus Mus musculus AWC -1.4 g 10.1021/jm00017a006
Mus musculus Mus musculus AWC 0.2 g 10.1021/jm00017a006
Mus musculus Mus musculus Cures 0.0 None 10.1021/jm020420u
Mus musculus Mus musculus Growth delay 2.0 day 10.1021/jm020420u
Mus musculus Mus musculus ILS 78.0 % 10.1021/jm00164a054
Mus musculus Mus musculus ILS 114.0 % 10.1021/jm00369a022
Mus musculus Mus musculus ILS max nan None 10.1021/jm00392a009
Mus musculus Mus musculus Increase in life-span 19.0 % 10.1021/jm9901226
Mus musculus Mus musculus Increase in life-span 91.0 % 10.1021/jm9901226
Mus musculus Mus musculus Increase in life-span 120.0 % 10.1021/jm9901226
Mus musculus Mus musculus LCK 1.8 None 10.1016/0960-894X(96)00230-2
Mus musculus Mus musculus LCK 1.8 None 10.1021/jm9708083
Mus musculus Mus musculus LD10 9.0 mg kg-1 day-1 10.1021/jm00177a011
Mus musculus Mus musculus LD10 9.0 None 10.1021/jm00137a009
Mus musculus Mus musculus Log 1/D40 5.24 None 10.1021/jm00177a011
Mus musculus Mus musculus Log 1/D40 5.29 None 10.1021/jm00137a009
Mus musculus Mus musculus Log ILS max 2.06 None 10.1021/jm00177a011
Mus musculus Mus musculus LTC 0.0 None 10.1016/0960-894X(96)00230-2
Mus musculus Mus musculus LTC 0.0 None 10.1021/jm9708083
Mus musculus Mus musculus MTD 48.0 mg kg-1 10.1016/0960-894X(95)00044-T
Mus musculus Mus musculus MTD 48.0 mg kg-1 10.1016/0960-894X(95)00160-U
Mus musculus Mus musculus MTD 48.0 mg kg-1 10.1016/0960-894X(96)00230-2
Mus musculus Mus musculus MTD 48.0 mg kg-1 10.1021/jm9708083
Mus musculus Mus musculus T1/2 1.767 hr 10.1021/jm00218a001
Mus musculus Mus musculus T/C 0.0 % 10.1016/0960-894X(95)00044-T
Mus musculus Mus musculus T/C 0.0 % 10.1016/0960-894X(95)00160-U
Mus musculus Mus musculus T/C 0.0 % 10.1016/0960-894X(96)00230-2
Mus musculus Mus musculus T/C 0.0 % 10.1021/jm9708083
Mus musculus Mus musculus T/C 0.24 None 10.1021/jm00017a006
Mus musculus Mus musculus T/C 0.31 None 10.1021/jm00017a006
Mus musculus Mus musculus T/C 0.46 None 10.1021/jm00017a006
Mus musculus Mus musculus Toxicity related death 0.0 None 10.1021/jm9901226
Mus musculus Mus musculus Toxicity related death nan None 10.1021/jm9901226
Mus musculus P388 Activity 58.0 % 10.1021/jm00374a020
Mus musculus P388 Activity nan None 10.1021/np50063a010
Mus musculus P388 D50 3.0 mg kg-1 10.1021/jm00159a035
Mus musculus P388 D50 3.0 mg kg-1 day-1 10.1021/jm00374a020
Mus musculus P388 D50 3.0 mg kg-1 day-1 10.1021/jm00387a012
Mus musculus P388 GI50 31.77 nM None
Mus musculus P388 IC50 12.0 nM 10.1021/jm00164a054
Mus musculus P388 IC50 20.0 nM 10.1021/jm010041l
Mus musculus P388 IC50 20.0 nM 10.1021/jm970004n
Mus musculus P388 IC50 20.0 nM 10.1021/jm980687m
Mus musculus P388 IC50 150.0 nM 10.1016/0960-894X(95)00044-T
Mus musculus P388 IC50 150.0 nM 10.1016/0960-894X(95)00160-U
Mus musculus P388 IC50 150.0 nM 10.1016/0960-894X(96)00230-2
Mus musculus P388 IC50 150.0 nM 10.1021/jm9708083
Mus musculus P388 IC50 229.0 nM 10.1021/np50063a010
Mus musculus P388 IC50 890.0 nM 10.1021/jm00164a054
Mus musculus P388 ID50 30.0 nM 10.1021/jm00352a027
Mus musculus P388 ILS 63.0 % 10.1021/jm00369a021
Mus musculus P388 ILS 78.0 % 10.1021/jm00352a027
Mus musculus P388 ILS 78.0 % 10.1021/jm00365a013
Mus musculus P388 ILS 78.0 % 10.1021/jm00369a021
Mus musculus P388 ILS 111.0 % 10.1021/jm00365a014
Mus musculus P388 ILS max 78.0 None 10.1021/jm00392a009
Mus musculus P388 ILSmax 78.0 % 10.1021/jm00159a035
Mus musculus P388 ILSmax 78.0 % 10.1021/jm00387a012
Mus musculus P388 IZ 10.0 mm 10.1021/np50063a010
Mus musculus P388 IZ 20.0 mm 10.1021/np50063a010
Mus musculus P388 OD 13.3 mg kg-1 10.1021/jm00159a035
Mus musculus P388 OD 13.3 mg kg-1 10.1021/jm00365a013
Mus musculus P388 OD 13.3 mg kg-1 day-1 10.1021/jm00374a020
Mus musculus P388 OD 13.3 None 10.1021/jm00392a009
Mus musculus P388 Ratio 0.74 None 10.1021/jm00164a054
Mus musculus P388 T/C 174.0 % 10.1021/jm00126a025
Mus musculus P388 T/C 198.0 % 10.1021/jm00126a025
Mus musculus P388 T/C 223.0 % 10.1021/jm00126a025
Mus musculus P388/ADR GI50 264.85 nM None
Mus musculus P388/ADR OD 13.3 None 10.1021/jm00392a009
Mus musculus RAW264.7 CC50 95500.0 nM 10.1016/j.ejmech.2019.111592
Mus sp. Mus sp. Log 1/LD10 4.74 None 10.1021/jm00345a015
Oncorhynchus gorbuscha Salmon testes DNA Activity nan None 10.1016/j.ejmech.2019.111592
Oryctolagus cuniculus Aldehyde oxidase Ki 60.0 nM 10.1021/jm100888d
Oryza sativa Japonica Group Os06g0676700 protein Potency 44668.4 nM None
Plasmodium falciparum Plasmodium falciparum IC50 600.0 nM 10.1021/jm00036a014
Rattus norvegicus Aldehyde oxidase IC50 6400.0 nM 10.1021/jm100888d
Rattus norvegicus Aldehyde oxidase Ki 3000.0 nM 10.1021/jm100888d
Rattus norvegicus Androgen Receptor AC50 21999.9 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 18999.8 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 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 6309.6 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 10000.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 18887.6 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 19952.6 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 31622.8 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity 2.7 ug 10.1021/np9701438
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity 8.2 ug 10.1021/np9701438
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity 20.0 ug 10.1021/np9701438
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 18356.4 nM None
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Log 1/C 4.7 None 10.1021/jm00177a011
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Log D50 1.4 None 10.1021/jm00177a011
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Log M50 2.13 None 10.1021/jm00177a011
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -1.981 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -0.52 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 21.46 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.1254 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 -4.19 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.06 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.2 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 3.04 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.bmc.2016.08.003
Staphylococcus aureus Teichoic acid D-alanyltransferase MIC 2.0 ug.mL-1 10.1016/j.bmc.2016.08.003
Staphylococcus aureus Teichoic acid D-alanyltransferase MIC 32.0 ug.mL-1 10.1016/j.bmc.2016.08.003
None ADMET Activity nan None 10.1021/jm00126a025
None ADMET CL 4.3 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Fluoroscence 63.73 % 10.1021/jm00126a025
None ADMET IC50 0.3 ug.mL-1 10.1021/jm00126a025
None ADMET IC50 240.0 nM 10.1021/jm00048a017
None ADMET IC50 2000.0 nM 10.1016/j.bmc.2008.07.015
None ADMET IC50 4200.0 nM 10.1016/j.bmc.2008.07.015
None ADMET IC50 7700.0 nM 10.1021/jm100888d
None ADMET Log K 5.57 None 10.1021/jm00374a020
None ADMET MRT 6.2 hr 10.1124/dmd.108.020479
None ADMET pka 7.43 None 10.1021/jm00392a009
None ADMET pKa 7.43 None 10.1021/jm00365a014
None ADMET Rm 0.18 None 10.1021/jm00177a011
None ADMET T1/2 0.03 hr 10.1021/jm00365a014
None ADMET T1/2 4.7 hr 10.1124/dmd.108.020479
None ADMET T1/2 13.2 None 10.1021/jm00137a009
None ADMET T1/2 24.0 hr 10.1021/jm00166a022
None ADMET T1/2 336.0 hr 10.1021/jm00166a022
None ADMET Vdss 1.6 L.kg-1 10.1124/dmd.108.020479
None F460pv8/eto IC50 40.0 nM 10.1021/jm9909490
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
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 3.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 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 NON-PROTEIN TARGET Blockage activity nan None 10.1021/jm00166a022
None NON-PROTEIN TARGET Fu 0.029 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI50 229.09 nM 10.1016/j.bmc.2008.07.069
None NON-PROTEIN TARGET GI50 440.0 nM 10.1016/j.bmc.2009.11.012
None NON-PROTEIN TARGET GI50 440.0 nM 10.1021/jm200046z
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) 10.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 41.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 12.0 nM 10.1021/jm970044r
None NON-PROTEIN TARGET IC50 20.0 nM 10.1021/jm970044r
None NON-PROTEIN TARGET IC50 37.0 nM 10.1021/jm970044r
None NON-PROTEIN TARGET IC50 40.0 nM 10.1016/j.bmc.2008.07.015
None NON-PROTEIN TARGET IC50 80.0 nM 10.1016/j.bmc.2008.07.015
None NON-PROTEIN TARGET IC50 400.0 nM 10.1016/j.bmc.2008.07.015
None NON-PROTEIN TARGET IC50 740.0 nM 10.1016/j.bmc.2008.07.015
None NON-PROTEIN TARGET IC50 930.0 nM 10.1016/j.ejmech.2016.03.066
None NON-PROTEIN TARGET IC50 8800.0 nM 10.1016/j.bmc.2007.10.084
None NON-PROTEIN TARGET LC50 20892.96 nM 10.1016/j.bmc.2008.07.069
None NON-PROTEIN TARGET Ratio 4.0 None 10.1021/jm00048a017
None NON-PROTEIN TARGET TGI 3388.44 nM 10.1016/j.bmc.2008.07.069
None No relevant target Index -1.2 None 10.1021/jm970232h
None No relevant target LogP 3.8 None 10.1016/j.ejmech.2009.12.043
None No relevant target pKa 7.43 None 10.1021/jm00137a009
None No relevant target pKa 7.43 None 10.1021/jm00177a011
None No relevant target pKa 7.43 None 10.1021/jm00199a002
None No relevant target pKa 7.43 None 10.1021/jm00345a015
None No relevant target pKa 7.43 None 10.1021/jm00365a013
None No relevant target pKa 7.43 None 10.1021/jm00369a021
None No relevant target pKa 7.43 None 10.1021/jm00369a022
None No relevant target pKa 7.43 None 10.1021/jm00387a012
None No relevant target Rm 0.18 None 10.1021/jm00199a002
None No relevant target Rm 0.18 None 10.1021/jm00205a013
None No relevant target Rm 0.18 None 10.1021/jm00214a012
None No relevant target Rm 0.18 None 10.1021/jm00218a001
None No relevant target Rm 0.18 None 10.1021/jm00365a014
None No relevant target Rm 0.18 None 10.1021/jm00374a020
None No relevant target Rm 0.18 None 10.1021/jm00392a009
None Nucleic Acid Activity 48.0 None 10.1021/jm00169a039
None Nucleic Acid Activity nan None 10.1016/j.bmc.2010.06.006
None Nucleic Acid Activity nan None 10.1016/j.bmc.2010.12.037
None Nucleic Acid Activity nan None 10.1016/j.ejmech.2008.12.011
None Nucleic Acid Activity nan None 10.1021/jm00169a039
None Nucleic Acid CC50 8900.0 nM 10.1021/jm00018a009
None Nucleic Acid Concentration 8.8 None 10.1021/jm00169a039
None Nucleic Acid Concentration 12.1 None 10.1021/jm00169a039
None Nucleic Acid Concentration 12.2 None 10.1021/jm00169a039
None Nucleic Acid Concentration 434.0 None 10.1021/jm00169a039
None Nucleic Acid Concentration 437.0 None 10.1021/jm00169a039
None Nucleic Acid Concentration 439.0 None 10.1021/jm00169a039
None Nucleic Acid K 2.9 None 10.1021/jm00365a014
None Nucleic Acid k0 2.6 M-1 10.1021/jm00169a039
None Nucleic Acid k0 2.9 M-1 10.1021/jm00169a039
None Nucleic Acid Log K 5.57 None 10.1021/jm00352a027
None Nucleic Acid Log K 5.57 None 10.1021/jm00365a013
None Nucleic Acid Log K 5.57 None 10.1021/jm00369a021
None Nucleic Acid Log K 5.57 None 10.1021/jm00369a022
None Nucleic Acid Log K 5.65 None 10.1021/jm00365a013
None Nucleic Acid Log K 5.65 None 10.1021/jm00369a021
None Nucleic Acid Log KAT 5.57 None 10.1021/jm00164a054
None Nucleic Acid Log Kd 5.14 None 10.1021/jm00370a007
None Nucleic Acid Q 4.5 uM 10.1021/jm00018a009
None Nucleic Acid Q 25.0 uM 10.1021/jm00018a009
None Nucleic Acid Relative amplitude 25.0 % 10.1021/jm00169a039
None Nucleic Acid Relative amplitude 75.0 % 10.1021/jm00169a039
None Nucleic Acid Relative amplitude nan None 10.1021/jm00169a039
None Nucleic Acid Time constant 2.0 ms 10.1021/jm00169a039
None Nucleic Acid Time constant 6.0 ms 10.1021/jm00169a039
None Nucleic Acid Time constant nan None 10.1021/jm00169a039
None Nucleic Acid Tm shift 4.0 degrees C 10.1021/jm00018a009
None Unchecked Activity -10.0 % None
None Unchecked Activity 1.8 % None
None Unchecked Activity 64.0 % None
None Unchecked Activity 65.0 % None
None Unchecked Activity 79.0 % None
None Unchecked Activity 84.0 % None
None Unchecked Activity 92.0 % None
None Unchecked Activity 109.0 % None
None Unchecked Activity 110.0 % None
None Unchecked Activity 113.0 % None
None Unchecked Activity 131.0 % None
None Unchecked Activity nan None 10.1016/j.bmc.2008.11.072
None Unchecked Activity nan None 10.1016/j.ejmech.2013.07.048
None Unchecked Activity nan None 10.1016/j.ejmech.2017.03.048
None Unchecked Activity nan None 10.1021/acs.jmedchem.7b01297
None Unchecked Activity nan None 10.1021/jm00137a004
None Unchecked Activity nan None 10.1021/jm900627v
None Unchecked Activity nan None 10.1039/c9md00597h
None Unchecked Blockage activity nan None 10.1021/jm00166a022
None Unchecked C50 10.8 uM 10.1021/jm00205a013
None Unchecked Delta Tm 0.0 degrees C 10.1021/jm070587t
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) 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) 4.0 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 IC20 3.3 10'-6M None
None Unchecked IC50 6260.0 nM None
None Unchecked IC50 6430.0 nM 10.1016/j.bmc.2017.04.030
None Unchecked IC50 10000.0 nM 10.1016/j.bmc.2016.01.011
None Unchecked IC50 ratio 74.0 None 10.1021/jm970044r
None Unchecked IC50 ratio 85.0 None 10.1021/jm970044r
None Unchecked Inhibition 22.0 % None
None Unchecked Inhibition 56.9 % 10.1016/j.bmc.2017.04.030
None Unchecked Inhibition nan % 10.1016/j.bmc.2016.08.003
None Unchecked Inhibition nan % 10.1016/j.bmc.2017.04.030
None Unchecked Inhibition nan % 10.1016/j.bmcl.2021.127815
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.09.004
None Unchecked Inhibition nan % 10.1016/j.ejmech.2017.01.003
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.5b01284
None Unchecked Inhibition nan % 10.1021/jm00166a022
None Unchecked K nan None 10.1021/jm00048a017
None Unchecked MIC 1.0 ug.mL-1 10.1016/j.bmc.2016.08.003
None Unchecked Potency 730.5 nM None
None Unchecked Potency 15848.9 nM None
None Unchecked Ratio 0.082 None 10.1021/jm00205a013
None Unchecked Ratio 0.68 None 10.1021/jm00121a007
None Unchecked Ratio 0.9 None 10.1021/jm00121a007
None Unchecked Ratio 1.0 None 10.1016/0960-894X(95)00300-I
None Unchecked Ratio 3.6 None 10.1021/jm00159a035
None Unchecked Ratio 3.6 None 10.1021/jm00387a012
None Unchecked Ratio 4.0 None 10.1021/jm00022a016
None Unchecked Ratio CC50/IC50 101.6 None 10.1016/j.ejmech.2019.111592
None Unchecked Ratio CC50/IC50 104.94 None 10.1016/j.ejmech.2019.111592

Metabolism Information