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Vincristine

AlkaPlorer ID: AK000982

Synonym: None

IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Structure

SMILES: CC[C@]1(O)C[C@H]2CN(CCC3=C(NC4=CC=CC=C34)[C@@](C(=O)OC)(C3=CC4=C(C=C3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

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InChI: InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

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InChIKey: OGWKCGZFUXNPDA-XQKSVPLYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pseudoceratina verrucosa Pseudoceratina Pseudoceratinidae Verongiida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 824.9719999999999

TPSA？: 171.17

MolLogP？: 3.5175000000000027

Number of H-Donors: 3

Number of H-Acceptors: 12

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agrobacterium tumefaciens Agrobacterium tumefaciens Activity 100.0 % 10.1016/j.ejmech.2014.07.028
Agrobacterium tumefaciens Agrobacterium tumefaciens Activity 100.0 % 10.1016/j.ejmech.2017.11.001
Agrobacterium tumefaciens Agrobacterium tumefaciens IC50 0.003 ppm 10.1016/j.bmc.2008.07.009
Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition -44.0 % 10.1021/np50024a005
Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition -36.0 % 10.1021/np50024a005
Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition -17.0 % 10.1021/np50024a005
Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition nan % 10.1021/np50024a005
Bos taurus Calf thymus DNA Activity 70.0 % 10.1021/np50078a006
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Bos taurus Tubulin IC50 1800.0 nM 10.1021/jm970800t
Bos taurus Tubulin Inhibition nan % 10.1016/j.bmc.2015.11.045
Bos taurus Tubulin beta chain GTPase Activity 0.09 None 10.1021/jm010940+
Bos taurus Tubulin beta chain GTPase Activity 5.3 None 10.1021/jm010940+
Canis lupus familiaris MDCK-II RatioGI50 40.3 None 10.1021/jm100991m
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
Chlorocebus sabaeus Vero Activity 16.81 % 10.1016/j.bmc.2014.08.026
Chlorocebus sabaeus Vero CC50 1.1 ug.mL-1 10.1016/j.ejmech.2009.01.014
Chlorocebus sabaeus Vero IC50 1.1 ug.mL-1 10.1016/j.ejmech.2010.06.029
Chlorocebus sabaeus Vero Inhibition 16.8 % 10.1039/C5MD00529A
Chlorocebus sabaeus Vero Selectivity Index 2.2 None 10.1016/j.ejmech.2010.06.029
Cricetulus griseus CHO CC50 1.15 ug.mL-1 10.1021/np010206t
Homo sapiens 1A9 ED50 nan None 10.1016/j.bmc.2011.01.001
Homo sapiens 786-0 IC50 1.2 nM 10.1021/jm200454y
Homo sapiens 786-0 IC50 37.0 nM 10.1021/jm200454y
Homo sapiens A2780 EC50 3.4 nM 10.1016/j.bmcl.2019.04.035
Homo sapiens A2780 EC50 3.9 nM 10.1016/j.bmcl.2019.04.035
Homo sapiens A2780 IC50 0.9 nM 10.1016/j.bmcl.2006.09.068
Homo sapiens A2780 IC50 3.1 nM 10.1016/j.bmcl.2007.04.030
Homo sapiens A2780 IC50 26.0 nM 10.1021/acs.jmedchem.6b00021
Homo sapiens A2780 IC50 30.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens A2780 IC50 170.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens A2780 IC50 930.0 nM 10.1021/jm500024v
Homo sapiens A2780 IC50 nan None 10.1021/jm500024v
Homo sapiens A2780 Ratio IC50 6.46 None 10.1021/acs.jmedchem.6b00021
Homo sapiens A2780/Taxol IC50 nan None 10.1016/j.bmcl.2018.11.023
Homo sapiens A2780/Taxol Ratio IC50 nan None 10.1016/j.bmcl.2018.11.023
Homo sapiens A549 Activity 0.5 % 10.1021/jm070534b
Homo sapiens A549 Activity 7.9 % 10.1021/jm070534b
Homo sapiens A549 Activity 45.2 % 10.1021/jm070534b
Homo sapiens A549 Activity 46.8 % 10.1021/jm070534b
Homo sapiens A549 Activity nan None 10.1021/jm070534b
Homo sapiens A549 Combination_index 0.301 None 10.1016/j.bmcl.2003.12.015
Homo sapiens A549 Combination_index 0.462 None 10.1016/j.bmcl.2003.12.015
Homo sapiens A549 ED50 0.004 ug ml-1 10.1021/jm701208v
Homo sapiens A549 ED50 4.8 nM 10.1016/j.bmc.2011.01.001
Homo sapiens A549 GI50 7.0 nM 10.1021/jm1011947
Homo sapiens A549 GI50 20.0 nM 10.1016/j.bmcl.2004.09.069
Homo sapiens A549 IC50 18.0 nM 10.1016/s0960-894x(00)00578-3
Homo sapiens A549 IC50 30.0 nM 10.1021/jm0510676
Homo sapiens A549 IC50 30.0 nM 10.1021/jm070534b
Homo sapiens A549 IC50 36.83 nM 10.1016/j.ejmech.2015.08.035
Homo sapiens A549 IC50 40.0 nM 10.1021/jm061366a
Homo sapiens A549 IC50 53.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens A549 IC50 56.0 nM 10.1021/jm500024v
Homo sapiens A549 IC50 60.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens A549 IC50 61.0 nM 10.1021/acs.jmedchem.6b00021
Homo sapiens A549 IC50 360.0 nM 10.1021/np070069l
Homo sapiens A549 IC50 560.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens A549 IC50 2500.0 nM 10.1016/j.bmcl.2009.07.090
Homo sapiens A549 IC50 nan None 10.1016/j.ejmech.2018.11.070
Homo sapiens A549 Inhibition nan % 10.1016/j.bmcl.2003.12.015
Homo sapiens A549 Ratio IC50 4.7 None 10.1021/jm500024v
Homo sapiens A549 Ratio IC50 9.2 None 10.1021/acs.jmedchem.6b00021
Homo sapiens A549 Ratio IC50 9.33 None 10.1021/acs.jmedchem.1c01775
Homo sapiens A549/TR IC50 nan None 10.1016/j.ejmech.2018.11.070
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None 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 AGS IC50 120.0 nM 10.1021/np070069l
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 ARO IC50 0.1 nM 10.1021/jm0510676
Homo sapiens ARO IC50 0.3 nM 10.1021/jm070534b
Homo sapiens Bel-7402 IC50 4.2 nM 10.1021/jm200848t
Homo sapiens Bel-7402 IC50 40.0 nM 10.1016/j.bmcl.2008.12.020
Homo sapiens Bel-7402 IC50 nan None 10.1016/j.ejmech.2018.11.070
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 BGC-823 IC50 0.066 ug.mL-1 10.1021/np030418l
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens BXPC-3 IC50 500.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens CAL-33 Activity 14.29 % 10.1016/j.ejmech.2012.10.051
Homo sapiens CAL-33 Activity 17.13 % 10.1016/j.ejmech.2012.10.051
Homo sapiens CAL-33 Activity 20.5 % 10.1016/j.ejmech.2012.10.051
Homo sapiens CAL-33 Activity 49.2 % 10.1016/j.ejmech.2012.10.051
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 82.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1016/j.bbrc.2003.09.007
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1124/mol.56.6.1219
Homo sapiens Canalicular multispecific organic anion transporter 1 Ki 802000.0 nM 10.1023/a:1016192413308
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 CCRF-CEM Activity nan None 10.1016/j.bmcl.2008.12.020
Homo sapiens CCRF-CEM Activity nan None 10.1021/np4008014
Homo sapiens CCRF-CEM EC50 597.2 nM 10.1021/jm9005059
Homo sapiens CCRF-CEM IC50 0.025 ug.mL-1 10.1021/jm00129a023
Homo sapiens CCRF-CEM IC50 0.06 ug.mL-1 10.1021/np970226o
Homo sapiens CCRF-CEM IC50 0.17 nM 10.1021/jm300515q
Homo sapiens CCRF-CEM IC50 2.13 nM 10.1016/j.ejmech.2016.12.046
Homo sapiens CCRF-CEM IC50 2.32 nM 10.1016/j.ejmech.2014.02.018
Homo sapiens CCRF-CEM IC50 3.0 nM 10.1016/j.ejmech.2019.111584
Homo sapiens CCRF-CEM IC50 2128.0 nM 10.1016/j.ejmech.2014.02.018
Homo sapiens CCRF-CEM Log CR 2.76 None 10.1021/jm00169a014
Homo sapiens CCRF-CEM Ratio IC50 0.46 None 10.1016/j.ejmech.2014.02.018
Homo sapiens CCRF-CEM Ratio IC50 1.0 None 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 1000.0 None 10.1021/jm200764t
Homo sapiens CCRF-CEM Ratio IC50 1000.0 None 10.1021/jm300515q
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens COLO 205 IC50 2.6 nM 10.1016/j.bmc.2008.11.016
Homo sapiens COLO 205 IC50 2.6 nM 10.1016/j.bmcl.2007.03.070
Homo sapiens COLO 205 IC50 2.6 nM 10.1021/jm060717i
Homo sapiens COLO 320DM IC50 0.46 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens COLO 320DM IC50 1.5 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens Cyclooxygenase-1 AC50 5726.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 11157.6 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 Activity 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 DLKP cell line Combination_index 0.241 None 10.1016/j.bmcl.2003.12.015
Homo sapiens DLKP cell line Combination_index 0.593 None 10.1016/j.bmcl.2003.12.015
Homo sapiens DLKP cell line Inhibition nan % 10.1016/j.bmcl.2003.12.015
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens DU-145 GI50 18.0 nM 10.1021/jm1011947
Homo sapiens DU-145 IC50 1.12 nM 10.1021/jm010974h
Homo sapiens DU-145 IC50 8.5 nM 10.1021/jm061366a
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 Geminin Potency 298.6 nM None
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HaCaT IC50 650.0 nM 10.1021/acs.jnatprod.5b01073
Homo sapiens HCT-116 Activity 4.0 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 12.5 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 23.0 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 25.3 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 28.6 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 31.6 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity 35.9 % 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 Activity nan None 10.1016/j.bmc.2011.05.031
Homo sapiens HCT-116 EC50 58.0 nM 10.1021/jm7010657
Homo sapiens HCT-116 GI50 1.0 nM 10.1016/j.bmcl.2004.09.069
Homo sapiens HCT-116 IC50 7.0 nM 10.1021/ml200236a
Homo sapiens HCT-116 IC50 nan None 10.1016/j.ejmech.2016.12.046
Homo sapiens HCT-8 ED50 0.02 ug ml-1 10.1021/jm701208v
Homo sapiens HCT-8 ED50 24.2 nM 10.1016/j.bmc.2011.01.001
Homo sapiens HCT-8 GI50 36.0 nM 10.1021/jm1011947
Homo sapiens HCT-8 IC50 217.0 nM 10.1016/j.ejmech.2021.113897
Homo sapiens HCT-8 IC50 350.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens HCT-8 IC50 7860.0 nM 10.1021/acs.jmedchem.1c01775
Homo sapiens HCT-8 IC50 nan None 10.1016/j.ejmech.2018.11.070
Homo sapiens HCT-8 Ratio IC50 22.5 None 10.1021/acs.jmedchem.6b00021
Homo sapiens HEL IC50 5970.0 nM 10.1039/C8MD00125A
Homo sapiens HeLa Activity nan None 10.1021/jm060717i
Homo sapiens HeLa CC50 0.05 ug.mL-1 10.1016/j.ejmech.2009.01.014
Homo sapiens HeLa CC50 0.05 ug.mL-1 10.1021/np010206t
Homo sapiens HeLa GI50 1.7 nM 10.1016/j.bmcl.2008.12.077
Homo sapiens HeLa IC50 0.014 ug.mL-1 10.1016/s0960-894x(99)00610-1
Homo sapiens HeLa IC50 0.05 ug.mL-1 10.1016/j.ejmech.2010.06.029
Homo sapiens HeLa IC50 0.051 ug.mL-1 10.1016/s0960-894x(99)00610-1
Homo sapiens HeLa IC50 4.3 nM 10.1021/np400297p
Homo sapiens HeLa IC50 5.0 nM 10.1021/jm0510676
Homo sapiens HeLa IC50 5.0 nM 10.1021/jm070534b
Homo sapiens HeLa IC50 15.0 nM 10.1016/j.bmc.2013.12.004
Homo sapiens HeLa IC50 15.0 nM 10.1016/j.ejmech.2016.02.004
Homo sapiens HeLa IC50 40.0 nM 10.1021/acs.jnatprod.5b00031
Homo sapiens HEp-2 CC50 0.05 ug.mL-1 10.1021/np010206t
Homo sapiens HEp-2 IC50 0.003 ug.mL-1 10.1016/j.ejmech.2008.10.006
Homo sapiens HepG2 Activity nan None 10.1021/jm500561a
Homo sapiens HepG2 ED50 2.9 nM 10.1016/j.bmc.2011.01.001
Homo sapiens HepG2 GI50 nan None 10.1021/jm1011947
Homo sapiens HepG2 IC50 0.042 ug.mL-1 10.1016/j.ejmech.2017.11.001
Homo sapiens HepG2 IC50 70.0 nM 10.1021/acs.jnatprod.5b00031
Homo sapiens HepG2 IC50 100.0 nM 10.1021/jm200848t
Homo sapiens HepG2 IC50 200.0 nM 10.1021/jm0510676
Homo sapiens HepG2 IC50 200.0 nM 10.1021/jm070534b
Homo sapiens HepG2 IC50 210.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens HepG2 IC50 3700.0 nM 10.1016/j.bmcl.2009.07.090
Homo sapiens HepG2 IC50 nan None 10.1016/j.bmcl.2008.12.020
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 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 17782.8 nM None
Homo sapiens HL-60 Activity nan None 10.1016/j.ejmech.2012.10.051
Homo sapiens HL-60 IC50 0.008 ug.mL-1 10.1016/j.bmcl.2020.127256
Homo sapiens HL-60 IC50 0.87 nM 10.1021/np900365r
Homo sapiens HL-60 IC50 60.0 nM 10.1021/jm300515q
Homo sapiens HL-60 IC50 1800.0 nM 10.1016/j.ejmech.2017.11.004
Homo sapiens HL-60 Ratio IC50 1.0 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 1000.0 None 10.1021/jm200764t
Homo sapiens HL-60 Ratio IC50 1000.0 None 10.1021/jm300515q
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 0.209 mL.min-1.kg-1 10.1124/dmd.112.049312
Homo sapiens Homo sapiens CL 0.523 mL.min-1.kg-1 10.1124/dmd.112.049312
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 8.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 10.0 % 10.1124/dmd.110.034629
Homo sapiens HT-29 Activity 4.65 % 10.1016/j.ejmech.2012.10.051
Homo sapiens HT-29 Activity 5.97 % 10.1016/j.ejmech.2012.10.051
Homo sapiens HT-29 Activity 16.43 % 10.1016/j.ejmech.2012.10.051
Homo sapiens HT-29 Activity 72.53 % 10.1016/j.ejmech.2012.10.051
Homo sapiens HT-29 Activity nan None 10.1021/jm800827q
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 IC50 0.01 nM 10.1021/jm010974h
Homo sapiens HT-29 IC50 1.0 nM 10.1021/jm0203027
Homo sapiens HT-29 IC50 2.06 nM 10.1021/jm970800t
Homo sapiens HT-29 IC50 7.0 nM 10.1021/np50063a010
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm0510676
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm070534b
Homo sapiens HT-29 IC50 12.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens HT-29 IC50 17.0 nM 10.1021/jm0203027
Homo sapiens HT-29 IC50 210.0 nM 10.1021/np070069l
Homo sapiens HT-29 IC50 1740.0 nM 10.1016/j.bmc.2020.115960
Homo sapiens HT-29 IC50 5300.0 nM 10.1016/j.bmcl.2009.07.090
Homo sapiens HT-29 IZ 15.0 mm 10.1021/np50063a010
Homo sapiens HT-29 IZ 30.0 mm 10.1021/np50063a010
Homo sapiens Huh-7 IC50 20.0 nM 10.1021/jm200848t
Homo sapiens Huntingtin Potency 17.8 nM None
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 Jurkat IC50 0.0031 ug.mL-1 10.1016/j.bmcl.2008.10.111
Homo sapiens Jurkat IC50 nan None 10.1016/j.bmcl.2008.10.111
Homo sapiens K562 Activity 72.0 % 10.1021/jm0708331
Homo sapiens K562 IC50 0.1 nM 10.1021/jm300515q
Homo sapiens K562 IC50 6.0 nM 10.1016/j.bmc.2007.07.020
Homo sapiens K562 IC50 21.0 nM 10.1016/j.ejmech.2018.11.070
Homo sapiens K562 IC50 178.0 nM 10.1016/j.bmcl.2018.04.019
Homo sapiens K562 IC50 178.0 nM 10.1016/j.ejmech.2020.112830
Homo sapiens K562 IC50 5360.0 nM 10.1039/C8MD00125A
Homo sapiens K562 IC50 nan None 10.1016/j.ejmech.2011.11.011
Homo sapiens K562 IC50 nan None 10.1016/j.ejmech.2021.113930
Homo sapiens K562 IC50 nan None 10.1021/jm9014394
Homo sapiens K562 Ratio IC50 1000.0 None 10.1021/jm200764t
Homo sapiens K562 Ratio IC50 1000.0 None 10.1021/jm300515q
Homo sapiens K562/Adr IC50 nan None 10.1016/j.ejmech.2021.113930
Homo sapiens K562/VCR IC50 4730.0 nM 10.1016/j.ejmech.2020.112830
Homo sapiens K562/VCR IC50 4737.0 nM 10.1016/j.bmcl.2018.04.019
Homo sapiens K562/VCR IC50 5060.0 nM 10.1016/j.ejmech.2018.11.070
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB ED50 0.015 ug ml-1 10.1021/jm701208v
Homo sapiens KB ED50 1.3 ug ml-1 10.1021/np50022a010
Homo sapiens KB ED50 2.4 nM 10.1016/j.bmc.2011.01.001
Homo sapiens KB GI50 1.86 nM 10.1016/j.ejmech.2020.112158
Homo sapiens KB GI50 2.0 nM 10.1016/j.bmcl.2012.03.037
Homo sapiens KB GI50 4.0 nM 10.1021/jm1011947
Homo sapiens KB IC50 0.007 ug.mL-1 10.1021/np500589u
Homo sapiens KB IC50 0.014 ug.mL-1 10.1016/s0960-894x(98)00294-7
Homo sapiens KB IC50 0.02 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens KB IC50 0.2 nM 10.1021/acs.jmedchem.6b01502
Homo sapiens KB IC50 0.21 nM 10.1016/j.bmcl.2018.11.023
Homo sapiens KB IC50 0.25 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens KB IC50 0.4 nM 10.1016/j.bmc.2014.06.042
Homo sapiens KB IC50 0.4 nM 10.1021/jm201031f
Homo sapiens KB IC50 0.4 nM 10.1021/jm8008635
Homo sapiens KB IC50 0.46 ug.mL-1 10.1016/j.ejmech.2017.07.033
Homo sapiens KB IC50 0.6 nM 10.1021/jm4011115
Homo sapiens KB IC50 0.65 nM 10.1021/acsmedchemlett.8b00125
Homo sapiens KB IC50 0.72 nM 10.1021/acs.jmedchem.7b01259
Homo sapiens KB IC50 0.8 nM 10.1021/acs.jnatprod.1c00013
Homo sapiens KB IC50 0.9 nM 10.1016/j.bmc.2015.06.043
Homo sapiens KB IC50 0.9 nM 10.1016/j.ejmech.2014.02.061
Homo sapiens KB IC50 1.0 nM 10.1021/jm9806087
Homo sapiens KB IC50 1.05 ug.mL-1 10.1016/s0960-894x(98)00294-7
Homo sapiens KB IC50 1.2 nM 10.1021/jm8008635
Homo sapiens KB IC50 2.11 nM 10.1021/jm301788a
Homo sapiens KB IC50 2.2 nM 10.1016/j.bmc.2008.11.016
Homo sapiens KB IC50 2.2 nM 10.1016/j.bmcl.2007.03.070
Homo sapiens KB IC50 2.2 nM 10.1021/jm060717i
Homo sapiens KB IC50 2.8 nM 10.1021/np0703747
Homo sapiens KB IC50 3.0 nM 10.1016/j.ejmech.2011.11.011
Homo sapiens KB IC50 3.3 nM 10.1021/acs.jnatprod.5b00992
Homo sapiens KB IC50 4.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 5.0 nM 10.1016/j.ejmech.2019.111584
Homo sapiens KB IC50 5.0 nM 10.1021/jm9806087
Homo sapiens KB IC50 6.0 nM 10.1021/jm061366a
Homo sapiens KB IC50 6.07 nM 10.1016/j.bmc.2010.07.055
Homo sapiens KB IC50 6.7 nM 10.1016/j.ejmech.2021.113930
Homo sapiens KB IC50 7.9 nM 10.1016/j.bmc.2008.02.012
Homo sapiens KB IC50 10.0 nM 10.1021/jm9014394
Homo sapiens KB IC50 16.7 nM 10.1021/np0701778
Homo sapiens KB IC50 17.6 nM 10.1021/jm8008635
Homo sapiens KB IC50 20.0 nM 10.1021/jm200511x
Homo sapiens KB IC50 25.0 ug.mL-1 10.1021/np200008g
Homo sapiens KB IC50 35.0 nM 10.1021/jm9806087
Homo sapiens KB IC50 50.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 50.0 nM 10.1021/jm9806087
Homo sapiens KB IC50 90.1 nM 10.1021/jm8008635
Homo sapiens KB IC50 139.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens KB IC50 200.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 350.0 nM 10.1021/jm9806087
Homo sapiens KB IC50 800.0 nM 10.1021/acs.jnatprod.1c00013
Homo sapiens KB IC50 1000.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 1290.0 nM 10.1021/jm200511x
Homo sapiens KB IC50 1610.0 nM 10.1016/j.ejmech.2011.11.011
Homo sapiens KB IC50 100000.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens KB RatioGI50 1320.0 None 10.1016/j.bmcl.2012.03.037
Homo sapiens KB Ratio IC50 26.0 None 10.1016/j.bmc.2008.11.016
Homo sapiens KB Ratio IC50 26.0 None 10.1016/j.bmcl.2007.03.070
Homo sapiens KB Ratio IC50 26.0 None 10.1021/jm060717i
Homo sapiens KB Ratio IC50 55.97 None 10.1021/jm200511x
Homo sapiens KB Ratio IC50 536.7 None 10.1016/j.ejmech.2011.11.011
Homo sapiens KB 3-1 Cytotoxicity nan None 10.1016/s0960-894x(00)00502-3
Homo sapiens KB 3-1 IC50 1230.48 nM 10.1016/j.bmcl.2004.06.089
Homo sapiens KB-V1 IC50 8571.0 nM 10.1016/j.ejmech.2021.113930
Homo sapiens KB/VJ300 IC50 800.0 nM 10.1021/acs.jnatprod.9b00712
Homo sapiens KB/VJ300 IC50 2600.0 nM 10.1021/acs.jnatprod.8b00919
Homo sapiens KB/VJ300 IC50 3900.0 nM 10.1021/acs.jnatprod.8b00170
Homo sapiens KB/VJ300 IC50 5900.0 nM 10.1021/acs.jnatprod.6b00674
Homo sapiens KB/VJ300 IC50 6600.0 nM 10.1021/acs.jnatprod.5b01117
Homo sapiens L02 GI 1.39 % 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 GI 1.6 % 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 GI 7.26 % 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 GI 11.5 % 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 GI 16.46 % 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 IC50 60.0 nM 10.1016/j.ejmech.2019.02.071
Homo sapiens L02 IC50 200.0 nM 10.1016/j.ejmech.2018.05.056
Homo sapiens L02 IC50 300.0 nM 10.1016/j.ejmech.2021.113295
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 LNCaP IC50 2600.0 nM 10.1016/j.ejmech.2020.112359
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 2.75 % 10.1016/j.ejmech.2016.05.010
Homo sapiens MCF7 Activity 17.7 % 10.1016/j.ejmech.2016.05.010
Homo sapiens MCF7 Activity 23.45 % 10.1016/j.ejmech.2016.05.010
Homo sapiens MCF7 Activity 56.1 % 10.1016/j.ejmech.2016.05.010
Homo sapiens MCF7 Activity 283.0 % 10.1021/acs.jmedchem.8b00986
Homo sapiens MCF7 ED50 0.01 ug ml-1 10.1021/jm701208v
Homo sapiens MCF7 ED50 12.1 nM 10.1016/j.bmc.2011.01.001
Homo sapiens MCF7 GI50 1.5 nM 10.1016/j.bmcl.2008.12.077
Homo sapiens MCF7 GI50 18.0 nM 10.1021/jm1011947
Homo sapiens MCF7 IC50 0.05 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens MCF7 IC50 0.15 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens MCF7 IC50 0.6 nM 10.1016/j.bmc.2011.05.030
Homo sapiens MCF7 IC50 0.6 nM 10.1021/jm070194u
Homo sapiens MCF7 IC50 0.84 nM 10.1021/jm970800t
Homo sapiens MCF7 IC50 2.0 nM 10.1016/j.bmc.2008.04.071
Homo sapiens MCF7 IC50 2.0 nM 10.1016/j.ejmech.2011.11.007
Homo sapiens MCF7 IC50 13.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens MCF7 IC50 20.0 nM 10.1021/jm0510676
Homo sapiens MCF7 IC50 20.0 nM 10.1021/jm070534b
Homo sapiens MCF7 IC50 98.0 nM 10.1021/acs.jmedchem.6b00021
Homo sapiens MCF7 IC50 890.0 nM 10.1016/j.bmc.2020.115960
Homo sapiens MCF7 IC50 920.0 nM 10.1016/j.bmc.2020.115960
Homo sapiens MCF7 IC50 4300.0 nM 10.1021/jm500024v
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmc.2007.05.030
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmc.2007.07.046
Homo sapiens MCF7 IC50 nan None 10.1021/jm200511x
Homo sapiens MCF7 IC50 nan None 10.1021/jm9014394
Homo sapiens MCF7 Ratio IC50 3.0 None 10.1016/j.ejmech.2016.05.010
Homo sapiens MCF7 Ratio IC50 12.9 None 10.1021/acs.jmedchem.6b00021
Homo sapiens MCF7 Ratio IC50 15.5 None 10.1016/j.bmc.2011.05.030
Homo sapiens MCF7 Ratio IC50 167.0 None 10.1016/j.bmc.2011.05.030
Homo sapiens MCF7 Ratio IC50 1063.0 None 10.1021/jm500024v
Homo sapiens MCF7 Ratio IC50 nan None 10.1021/jm200511x
Homo sapiens MDA-MB-231 Activity 74.5 % 10.1016/j.ejmech.2019.04.025
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmc.2007.05.030
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmc.2007.07.046
Homo sapiens MDA-MB-231 IC50 1.6 nM 10.1021/np4008014
Homo sapiens MDA-MB-231 IC50 4.5 nM 10.1016/j.bmc.2007.05.030
Homo sapiens MDA-MB-231 IC50 4.5 nM 10.1016/j.bmc.2007.07.046
Homo sapiens MDA-MB-231 IC50 6.0 nM 10.1016/j.bmc.2008.04.071
Homo sapiens MDA-MB-231 IC50 6.0 nM 10.1016/j.ejmech.2011.11.007
Homo sapiens MDA-MB-231 IC50 15.0 nM 10.1016/j.bmc.2008.12.002
Homo sapiens MDA-MB-231 IC50 20.0 nM 10.1021/acs.jnatprod.5b00031
Homo sapiens MDA-MB-231 IC50 9860.0 nM 10.1039/C8MD00125A
Homo sapiens MDA-MB-435 IC50 0.29 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 0.63 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 20.0 nM 10.1021/acs.jnatprod.5b00031
Homo sapiens MDA-MB-435 IC50 26.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 nan None 10.1021/jm060593+
Homo sapiens MDA-MB-435 Ratio IC50 41.0 None 10.1021/jm060593+
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 MES-SA/Dx5 IC50 0.02 nM 10.1021/jm010974h
Homo sapiens MIA PaCa-2 IC50 15.0 nM 10.1016/j.bmc.2008.12.002
Homo sapiens MKN-28 IC50 7100.0 nM 10.1016/j.bmcl.2009.07.090
Homo sapiens MOLT-4 IC50 0.00063 ug.mL-1 10.1016/j.bmcl.2017.12.029
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 Mothers against decapentaplegic homolog 3 Potency 562.3 nM None
Homo sapiens Multidrug resistance associated protein Activity 39.1 % None
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1038/sj.bjp.0702360
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None None
Homo sapiens Multidrug resistance-associated protein 1 IC50 70000.0 nM 10.1074/jbc.271.16.9683
Homo sapiens Multidrug resistance-associated protein 7 Activity 18.4 % 10.1124/mol.63.2.351
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens MX1 IC50 12.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens MX1 IC50 75.0 nM 10.1016/j.ejmech.2013.08.006
Homo sapiens NCI/ADR-RES IC50 2930.0 ug.mL-1 10.1021/jm9700169
Homo sapiens NCI/ADR-RES IC50 10050.0 nM 10.1016/j.ejmech.2021.113336
Homo sapiens NCI/ADR-RES Ratio IC50 48.3 None 10.1016/j.ejmech.2016.05.045
Homo sapiens NCI-H157 Activity 46.0 % 10.1016/j.ejmech.2014.03.015
Homo sapiens NCI-H157 Activity 47.0 % 10.1016/j.ejmech.2013.10.053
Homo sapiens NCI-H157 Activity 69.8 % 10.1016/j.ejmech.2017.11.001
Homo sapiens NCI-H157 Activity 70.9 % 10.1016/j.ejmech.2017.11.001
Homo sapiens NCI-H157 Activity 72.6 % 10.1016/j.ejmech.2017.11.001
Homo sapiens NCI-H157 Activity 74.5 % 10.1016/j.ejmech.2017.11.001
Homo sapiens NCI-H157 Activity nan None 10.1016/j.ejmech.2017.11.001
Homo sapiens NCI-H157 GI 69.8 % 10.1016/j.ejmech.2014.03.046
Homo sapiens NCI-H157 GI 70.9 % 10.1016/j.ejmech.2014.03.046
Homo sapiens NCI-H157 GI 72.6 % 10.1016/j.ejmech.2014.03.046
Homo sapiens NCI-H157 GI 74.5 % 10.1016/j.ejmech.2014.03.046
Homo sapiens NCI-H157 GI 74.6 % 10.1016/j.bmc.2016.07.042
Homo sapiens NCI-H157 IC50 1030.0 nM 10.1016/j.bmc.2014.08.026
Homo sapiens NCI-H157 IC50 1030.0 nM 10.1016/j.ejmech.2019.111587
Homo sapiens NCI-H157 IC50 1030.0 nM 10.1039/C5MD00529A
Homo sapiens NCI-H211 IC50 nan None 10.1016/j.ejmech.2016.12.046
Homo sapiens NCI-H292 IC50 0.04 ug.mL-1 10.1016/j.ejmech.2008.10.006
Homo sapiens NCI-H295R IC50 90.0 nM 10.1021/jm0510676
Homo sapiens NCI-H460 GI50 3.0 nM 10.1016/j.bmcl.2004.09.069
Homo sapiens NCI-H460 IC50 0.13 nM 10.1021/jm010974h
Homo sapiens NCI-H460 IC50 nan None 10.1016/j.ejmech.2016.12.046
Homo sapiens NCI-H526 IC50 nan None 10.1016/j.ejmech.2016.12.046
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 Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens OE19 IC50 50.0 nM 10.1021/jm070534b
Homo sapiens OE33 IC50 30.0 nM 10.1021/jm070534b
Homo sapiens Ornithine decarboxylase Activity nan None 10.1021/jm800827q
Homo sapiens OVCAR-3 Activity 0.5 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 7.9 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 45.2 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 Activity 46.8 % 10.1016/j.ejmech.2007.04.008
Homo sapiens OVCAR-3 IC50 20.0 nM 10.1021/jm0510676
Homo sapiens OVCAR-3 IC50 20.0 nM 10.1021/jm070534b
Homo sapiens PA-1 IC50 0.01 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens PA-1 IC50 1.0 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens PANC-1 Activity 9.7 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 21.2 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 64.1 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 265.0 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PC-3 ED50 0.01 ug ml-1 10.1021/jm701208v
Homo sapiens PC-3 ED50 12.1 nM 10.1016/j.bmc.2011.01.001
Homo sapiens PC-3 GI50 18.0 nM 10.1021/jm1011947
Homo sapiens PC-3 IC50 70.0 nM 10.1021/acs.jnatprod.5b00031
Homo sapiens PC-3 IC50 5310.0 nM 10.1039/C8MD00125A
Homo sapiens PC-3 IC50 25000.0 nM 10.1016/j.ejmech.2017.11.004
Homo sapiens PC-3 IC50 nan None 10.1016/j.ejmech.2016.12.046
Homo sapiens PC-6 GI50 1.14 nM 10.1016/s0960-894x(98)00344-8
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens P-glycoprotein 1 Activity nan None 10.1023/a:1022242607418
Homo sapiens P-glycoprotein 1 Activity nan None 10.1158/0008-5472.can-03-3474
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 FC 62.8 None 10.1016/j.ejmech.2021.113336
Homo sapiens P-glycoprotein 1 Ki 213000.0 nM 10.1023/a:1016140429238
Homo sapiens P-glycoprotein 1 Ki1 0.47 uM None
Homo sapiens P-glycoprotein 1 Ki2 148.0 uM None
Homo sapiens P-glycoprotein 1 % maximum response 8.4 % None
Homo sapiens P-glycoprotein 1 Papp 2.36 nm/s None
Homo sapiens P-glycoprotein 1 Papp 14.9 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 1.46 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 6.31 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prelamin-A/C Potency 1.1 nM None
Homo sapiens Progesterone receptor AC50 30000.0 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 PT-45 IC50 4.0 nM 10.1021/jm0510676
Homo sapiens PT-45 IC50 4.0 nM 10.1021/jm070534b
Homo sapiens RD Activity nan None 10.1021/jm500561a
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 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 30000.0 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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SMMC-7721 GI 12.34 % 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 GI 17.74 % 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 GI 23.94 % 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 GI 45.74 % 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 GI 68.51 % 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 IC50 3.0 nM 10.1016/j.ejmech.2018.05.056
Homo sapiens SMMC-7721 IC50 6.5 nM 10.1021/jm200848t
Homo sapiens SMMC-7721 IC50 10.3 nM 10.1016/j.ejmech.2019.02.071
Homo sapiens SMMC-7721 IC50 20.74 ug.mL-1 10.1021/np030278f
Homo sapiens SMMC-7721 IC50 120.0 nM 10.1021/np070069l
Homo sapiens SMMC-7721 IC50 270.0 nM 10.1016/j.ejmech.2021.113295
Homo sapiens SMMC-7721 IC50 52210.0 nM 10.1016/j.bmcl.2008.12.020
Homo sapiens SNU-387 IC50 40.9 nM 10.1021/jm200848t
Homo sapiens SNU-398 Activity 14.7 % 10.1021/jm200848t
Homo sapiens SNU-398 Activity 17.1 % 10.1021/jm200848t
Homo sapiens SNU-398 Activity 64.5 % 10.1021/jm200848t
Homo sapiens SNU-398 EC50 12.0 nM 10.1021/jm7010657
Homo sapiens SNU-398 IC50 0.13 nM 10.1021/jm200848t
Homo sapiens SNU-398 IC50 46.7 nM 10.1021/jm200848t
Homo sapiens SNU-423 IC50 10.0 nM 10.1016/j.bmc.2008.12.002
Homo sapiens SNU-423 IC50 18.4 nM 10.1021/jm200848t
Homo sapiens SNU-449 IC50 100.0 nM 10.1021/jm200848t
Homo sapiens SNU-475 IC50 29.3 nM 10.1021/jm200848t
Homo sapiens Solute carrier organic anion transporter family member 1B1 IC50 44000.0 nM 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 3.9 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 28.1 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B1 Ki 42000.0 nM 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 IC50 11000.0 nM 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 IC50 36780.0 nM 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 59.8 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 65.1 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B3 Ki 9800.0 nM 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Ki 17600.0 nM 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 13.0 % 10.1021/jm300212s
Homo sapiens T47D EC50 43.0 nM 10.1021/jm7010657
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Tubulin Activity 25.2 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 25.5 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 25.8 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 28.8 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 29.1 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 30.4 % 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity 722.0 a.u. 10.1016/j.ejmech.2018.07.024
Homo sapiens Tubulin Activity 747.0 a.u. 10.1016/j.ejmech.2018.01.042
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2019.111584
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2020.112158
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2022.114271
Homo sapiens Tubulin Activity nan None 10.1021/jm0510676
Homo sapiens Tubulin Activity nan None 10.1021/jm500024v
Homo sapiens Tubulin IC50 500.0 nM 10.1021/jm00111a012
Homo sapiens Tubulin Inhibition 77.0 % 10.1016/j.bmc.2013.12.004
Homo sapiens Tubulin Inhibition 87.0 % 10.1016/j.bmcl.2007.04.048
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmc.2011.05.031
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmcl.2013.06.083
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmcl.2020.127453
Homo sapiens Tubulin beta Activity 0.98 None 10.1016/j.ejmech.2022.114271
Homo sapiens Tubulin beta Activity 1.12 None 10.1016/j.ejmech.2022.114271
Homo sapiens Tubulin beta Inhibition nan % 10.1021/acs.jmedchem.0c01345
Homo sapiens Tubulin beta Inhibition nan % 10.1021/acs.jmedchem.1c01451
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 25.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 125.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 237.1 nM None
Homo sapiens U-87 MG Activity nan None 10.1016/j.bmc.2008.04.071
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens WRL68 IC50 1.42 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens WRL68 IC50 8.5 ug.mL-1 10.1016/j.bmcl.2006.01.077
Homo sapiens ZR-75-1 IC50 40.0 nM 10.1021/jm061366a
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200.0 ug.mL-1 10.1021/np50073a012
Leishmania donovani Beta tubulin IC50 1000.0 nM 10.1016/j.bmcl.2004.09.069
Leishmania donovani Beta tubulin Inhibition 83.0 % 10.1016/j.bmcl.2004.09.069
Mesocricetus auratus BHK-21 Activity 69.8 % 10.1016/j.ejmech.2017.11.001
Mesocricetus auratus BHK-21 Activity 70.9 % 10.1016/j.ejmech.2017.11.001
Mesocricetus auratus BHK-21 Activity 72.6 % 10.1016/j.ejmech.2017.11.001
Mesocricetus auratus BHK-21 Activity 74.5 % 10.1016/j.ejmech.2017.11.001
Mesocricetus auratus BHK-21 Activity nan None 10.1016/j.ejmech.2017.11.001
Mesocricetus auratus BHK-21 IC50 1.51 nM 10.1074/jbc.m703964200
Mesocricetus auratus BHK-21 IC50 9.42 nM 10.1074/jbc.m703964200
Mesocricetus auratus BHK-21 IC50 1080.0 nM 10.1016/j.ejmech.2019.111587
Mus musculus 4T1 IC50 20.0 nM 10.1021/jm0510676
Mus musculus ATP-binding cassette sub-family G member 2 Activity nan None None
Mus musculus B16 IC50 500.0 nM 10.1021/acs.jnatprod.5b01073
Mus musculus Bile salt export pump Activity nan None None
Mus musculus BNL IC50 80.0 nM 10.1021/jm0510676
Mus musculus H22 TGI 31.0 % 10.1016/j.ejmech.2013.08.006
Mus musculus H22 TGI 61.0 % 10.1016/j.ejmech.2013.08.006
Mus musculus L1210 IC50 0.73 nM 10.1021/jm970800t
Mus musculus L1210 IC50 3.4 nM 10.1021/jm00098a014
Mus musculus L1210 IC50 3.4 nM 10.1021/jm00104a005
Mus musculus L1210 IC50 3.4 nM 10.1021/jm00130a023
Mus musculus L1210 IC50 4.85 nM 10.1021/jm00111a012
Mus musculus L1210 IC50 6.0 nM 10.1021/ml200236a
Mus musculus L1210 ID50 0.001 uM 10.1021/jm00351a008
Mus musculus L1210 MI0.5 11.0 nM 10.1021/jm00104a005
Mus musculus L1210 MI0.5 11.0 nM 10.1021/jm00130a023
Mus musculus L1210 Mitotic index 0.62 uM 10.1021/jm00351a008
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Multidrug resistance-associated protein 1 Activity nan None 10.1124/dmd.31.8.1016
Mus musculus Multidrug resistance-associated protein 1 Activity nan None 10.1124/mol.52.3.344
Mus musculus Mus musculus Activity 24.6 g 10.1016/j.ejmech.2013.08.006
Mus musculus Mus musculus Activity 25.5 g 10.1016/j.ejmech.2013.08.006
Mus musculus Mus musculus ILS 1.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 4.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 10.7 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 12.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 14.7 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 16.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 20.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 20.8 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 24.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 26.6 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 28.8 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 30.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 36.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 37.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 46.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 47.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 53.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 64.0 % 10.1021/jm00146a017
Mus musculus Mus musculus ILS 85.0 % 10.1021/jm00104a005
Mus musculus Mus musculus ILS 100.0 % 10.1021/jm00351a008
Mus musculus Mus musculus ILS 145.0 % 10.1021/jm00351a008
Mus musculus Mus musculus ILS 146.0 % 10.1021/jm00146a017
Mus musculus Mus musculus LD50 1.0 mg.kg-1 10.1021/jm00146a017
Mus musculus Mus musculus Median T/C 10.6 day 10.1016/s0960-894x(98)00262-5
Mus musculus Mus musculus Median T/C 12.6 day 10.1016/s0960-894x(98)00262-5
Mus musculus Mus musculus Range 10.0 day 10.1016/s0960-894x(98)00262-5
Mus musculus Mus musculus Survivors 0.0 None 10.1021/jm00146a017
Mus musculus Mus musculus T/C 92.0 % 10.1016/s0960-894x(98)00262-5
Mus musculus Mus musculus T/C 110.0 % 10.1016/s0960-894x(98)00262-5
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 EC50 20.0 nM 10.1016/S0960-894X(00)80225-5
Mus musculus P388 IC50 1.2 nM 10.1021/np50063a010
Mus musculus P388 IC50 2.0 nM 10.1016/s0960-894x(00)00578-3
Mus musculus P388 IC50 2.2 nM 10.1021/jm060593+
Mus musculus P388 IC50 4.7 nM 10.1016/S0960-894X(00)80225-5
Mus musculus P388 IC50 190.0 nM 10.1016/S0960-894X(00)80225-5
Mus musculus P388 ILS 5.0 % 10.1016/S0960-894X(00)80225-5
Mus musculus P388 ILS 10.0 % 10.1016/S0960-894X(00)80225-5
Mus musculus P388 ILS 85.0 % 10.1021/jm00098a014
Mus musculus P388 ILS 122.0 % 10.1021/jm00130a023
Mus musculus P388 ILS 130.0 % 10.1016/S0960-894X(00)80225-5
Mus musculus P388 ILS 147.0 % 10.1016/S0960-894X(00)80225-5
Mus musculus P388 IZ 12.5 mm 10.1021/np50063a010
Mus musculus P388 IZ 32.5 mm 10.1021/np50063a010
Mus musculus P388 IZ 40.0 mm 10.1021/np50063a010
Mus musculus P388 LTS 0.0 None 10.1021/jm00111a012
Mus musculus P388 Ratio IC50 66.0 None 10.1021/jm060593+
Mus musculus P388 T/C 92.0 % 10.1021/np030346y
Mus musculus P388 T/C 110.0 % 10.1021/np030346y
Mus musculus P388 T/C 165.0 % 10.1021/jm00111a012
Mus musculus P388 T/C 242.0 % 10.1021/np50024a005
Mus musculus P388/ADR IC50 4.5 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 299.0 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 nan None 10.1021/jm060593+
Mus musculus P-glycoprotein 3 Activity nan None 10.1093/jnci/88.14.994
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
Plasmodium falciparum Plasmodium falciparum IC50 1.0 nM 10.1128/aac.00431-10
Plasmodium falciparum Plasmodium falciparum Potency 84.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus C6 Activity nan None 10.1021/jm201428a
Rattus norvegicus C6 Activity nan None 10.1021/np960144k
Rattus norvegicus C6 LC50 320.0 nM 10.1021/np960144k
Rattus norvegicus Canalicular multispecific organic anion transporter 1 Activity 42.0 % 10.1016/s0021-9258(17)30655-5
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus 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 PC-12 GI50 104.0 nM 10.1016/s0960-894x(98)00344-8
Rattus norvegicus Peripheral myelin protein 22 Potency 90.7 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 281.6 nM None
Rattus norvegicus Rattus norvegicus ALB 38000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 301.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 313.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 351.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 364.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 51.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 100.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 132.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 151.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 186.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 650.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 758.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 803.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 806.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 254.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 316.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 355.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 419.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 33.1 mL.min-1.kg-1 10.1124/dmd.112.049312
Rattus norvegicus Rattus norvegicus CL 84.87 mL.min-1.kg-1 10.1124/dmd.112.049312
Rattus norvegicus Rattus norvegicus CO2 29670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 34500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 35670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 15.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 50.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1383.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1491.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1550.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1873.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 27.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 30.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 107000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 120700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 132200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LD50 1.0 mg.kg-1 10.1021/jm00146a017
Rattus norvegicus Rattus norvegicus LDH 105.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 108.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 111.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 136.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 5856.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6333.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6489.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7637.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.3 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.95 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.38 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 382300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 387000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 392000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.47 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.6 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.95 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 38.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 67.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 75.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 77.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 217.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 285.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 661.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 661.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Pc 6.4e-07 cm s-1 10.1021/jm00180a022
Rattus norvegicus Rattus norvegicus PHOS 103.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 104.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 865000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 924330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1370670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1561000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.21 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.91 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 54000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 4270000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5180000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5380000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5440000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.17 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.8 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.64 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 6.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 6170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 6900.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8370.0 cells.uL-1 10.6019/CHEMBL3885881
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 Thioredoxin reductase 1, cytoplasmic Potency 79432.8 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.35 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.4904 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 1.43 % 10.6019/CHEMBL4495565
Sus scrofa LLC-PK1 GI50 30.0 nM 10.1021/jm100991m
Sus scrofa LLC-PK1 GI50 nan None 10.1021/jm100991m
Sus scrofa LLC-PK1 RatioGI50 70.0 None 10.1021/jm100991m
Sus scrofa Tubulin Activity nan None 10.1021/acs.jmedchem.5b01312
Sus scrofa Tubulin Activity nan None 10.1021/jm400575x
Sus scrofa Tubulin Inhibition nan % 10.1016/j.bmc.2011.03.005
Sus scrofa Tubulin Inhibition nan % 10.1016/j.bmcl.2013.06.083
Sus scrofa Tubulin Inhibition nan % 10.1016/j.ejmech.2019.111584
Sus scrofa Tubulin Inhibition nan % 10.1021/acs.jmedchem.5b00659
Sus scrofa Tubulin Inhibition nan % 10.1021/acs.jmedchem.6b00276
Sus scrofa Tubulin Ratio IC50 2.0 None 10.1021/acs.jmedchem.5b01312
Sus scrofa Tubulin alpha chain IC50 220.0 nM 10.1016/S0960-894X(00)80225-5
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1021/jm4004279
None ADMET Activity 1.0 None 10.1021/jm9700169
None ADMET Activity 60.0 % 10.1021/jm201428a
None ADMET Activity nan None 10.1021/acs.jmedchem.2c02061
None ADMET Activity nan None 10.1021/jm201428a
None ADMET Bullatacin index 141.3 None 10.1021/jm9700169
None ADMET CC50 0.61 ug.mL-1 10.1021/np010206t
None ADMET CL 1.8 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 2.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 2.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 4.8 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 9.8 mL.min-1.kg-1 10.1002/jps.20373
None ADMET Drug excretion 10.0 % 10.1124/dmd.112.049312
None ADMET Drug excretion 43.0 % 10.1124/dmd.112.049312
None ADMET IC50 6.0 nM 10.1021/jm020913z
None ADMET IC50 25.0 ug.mL-1 10.1021/np200008g
None ADMET IC50 50.0 nM 10.1021/jm020913z
None ADMET IC50 200.0 nM 10.1021/jm020913z
None ADMET IC50 700.0 nM 10.1021/jm020913z
None ADMET MRT 20.0 hr 10.1124/dmd.108.020479
None ADMET Papp 0.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 0.9 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.2 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.5 ucm/s 10.1124/dmd.110.034629
None ADMET Ratio 3.0 None 10.1124/dmd.110.034629
None ADMET Ratio 3.5 None 10.1124/dmd.110.034629
None ADMET Ratio 4.2 None 10.1124/dmd.110.034629
None ADMET Ratio 6.0 None 10.1124/dmd.110.034629
None ADMET Ratio 8.6 None 10.1124/dmd.110.034629
None ADMET Ratio 11.0 None 10.1124/dmd.110.034629
None ADMET Ratio 15.0 None 10.1124/dmd.110.034629
None ADMET Ratio 33.0 None 10.1124/dmd.110.034629
None ADMET Ratio 35.0 None 10.1124/dmd.110.034629
None ADMET Ratio IC50 4.0 None 10.1021/jm300212s
None ADMET T1/2 23.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.41 mL/min/kg 10.1002/jps.20373
None ADMET Vdss 1.3 L.kg-1 10.1002/jps.20373
None ADMET Vdss 2.4 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 3.1 L.kg-1 10.1002/jps.20373
None ADMET Vdss 8.0 L.kg-1 10.1002/jps.20373
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports nan None 10.2174/1570163043334794
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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports nan None 10.2174/1570163043334794
None MDR Activity nan None 10.1021/jm900342g
None Molecular identity unknown Activity 0.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 0.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 0.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 0.5 % 10.1021/jm0605031
None Molecular identity unknown Activity 0.5 % 10.1021/jm0708984
None Molecular identity unknown Activity 0.5 % 10.1021/jm801338r
None Molecular identity unknown Activity 1.0 % 10.1021/jm0605031
None Molecular identity unknown Activity 1.0 % 10.1021/jm0708984
None Molecular identity unknown Activity 1.0 % 10.1021/jm801338r
None Molecular identity unknown Activity 4.0 % 10.1016/j.ejmech.2016.06.007
None Molecular identity unknown Activity 4.8 % 10.1021/jm0605031
None Molecular identity unknown Activity 4.8 % 10.1021/jm0708984
None Molecular identity unknown Activity 4.8 % 10.1021/jm801338r
None Molecular identity unknown Activity 5.1 % 10.1016/j.ejmech.2016.05.010
None Molecular identity unknown Activity 5.9 % 10.1021/jm0605031
None Molecular identity unknown Activity 5.9 % 10.1021/jm0708984
None Molecular identity unknown Activity 5.9 % 10.1021/jm801338r
None Molecular identity unknown Activity 6.5 % 10.1021/jm0605031
None Molecular identity unknown Activity 6.5 % 10.1021/jm0708984
None Molecular identity unknown Activity 6.5 % 10.1021/jm801338r
None Molecular identity unknown Activity 7.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 7.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 7.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 7.8 % 10.1016/j.ejmech.2016.05.010
None Molecular identity unknown Activity 11.1 % 10.1021/jm0605031
None Molecular identity unknown Activity 11.1 % 10.1021/jm0708984
None Molecular identity unknown Activity 11.1 % 10.1021/jm801338r
None Molecular identity unknown Activity 11.7 % 10.1021/jm0605031
None Molecular identity unknown Activity 11.7 % 10.1021/jm0708984
None Molecular identity unknown Activity 11.7 % 10.1021/jm801338r
None Molecular identity unknown Activity 11.8 % 10.1021/jm200848t
None Molecular identity unknown Activity 12.2 % 10.1021/jm200848t
None Molecular identity unknown Activity 13.1 % 10.1021/jm0605031
None Molecular identity unknown Activity 13.1 % 10.1021/jm0708984
None Molecular identity unknown Activity 13.1 % 10.1021/jm801338r
None Molecular identity unknown Activity 13.83 % 10.1016/j.ejmech.2016.06.007
None Molecular identity unknown Activity 17.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 17.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 17.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 17.9 % 10.1016/j.ejmech.2016.05.010
None Molecular identity unknown Activity 24.0 % 10.1021/jm0605031
None Molecular identity unknown Activity 24.0 % 10.1021/jm0708984
None Molecular identity unknown Activity 24.0 % 10.1021/jm801338r
None Molecular identity unknown Activity 26.0 % 10.1021/jm0605031
None Molecular identity unknown Activity 26.0 % 10.1021/jm0708984
None Molecular identity unknown Activity 26.0 % 10.1021/jm801338r
None Molecular identity unknown Activity 27.7 % 10.1021/jm0605031
None Molecular identity unknown Activity 27.7 % 10.1021/jm0708984
None Molecular identity unknown Activity 27.7 % 10.1021/jm801338r
None Molecular identity unknown Activity 28.3 % 10.1021/jm0605031
None Molecular identity unknown Activity 28.3 % 10.1021/jm0708984
None Molecular identity unknown Activity 28.3 % 10.1021/jm801338r
None Molecular identity unknown Activity 53.7 % 10.1021/jm0605031
None Molecular identity unknown Activity 53.7 % 10.1021/jm0708984
None Molecular identity unknown Activity 53.7 % 10.1021/jm801338r
None Molecular identity unknown Activity 54.6 % 10.1016/j.ejmech.2016.05.010
None Molecular identity unknown Activity 61.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 61.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 61.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 64.5 % 10.1021/jm0605031
None Molecular identity unknown Activity 64.5 % 10.1021/jm0708984
None Molecular identity unknown Activity 64.5 % 10.1021/jm801338r
None Molecular identity unknown Activity 65.8 % 10.1021/jm0605031
None Molecular identity unknown Activity 65.8 % 10.1021/jm0708984
None Molecular identity unknown Activity 65.8 % 10.1021/jm801338r
None Molecular identity unknown Activity 68.4 % 10.1021/jm200848t
None Molecular identity unknown Activity 82.17 % 10.1016/j.ejmech.2016.06.007
None Molecular identity unknown Activity 86.7 % 10.1021/jm0605031
None Molecular identity unknown Activity 86.7 % 10.1021/jm0708984
None Molecular identity unknown Activity 86.7 % 10.1021/jm801338r
None Molecular identity unknown Activity 92.6 % 10.1021/jm0605031
None Molecular identity unknown Activity 92.6 % 10.1021/jm0708984
None Molecular identity unknown Activity 92.6 % 10.1021/jm801338r
None Molecular identity unknown Activity 93.8 % 10.1021/jm0605031
None Molecular identity unknown Activity 93.8 % 10.1021/jm0708984
None Molecular identity unknown Activity 93.8 % 10.1021/jm801338r
None Molecular identity unknown Activity 95.1 % 10.1021/jm0605031
None Molecular identity unknown Activity 95.1 % 10.1021/jm0708984
None Molecular identity unknown Activity 95.1 % 10.1021/jm801338r
None Molecular identity unknown Activity nan None 10.1021/jm500561a
None Molecular identity unknown EC50 2.4 nM 10.1016/j.bmc.2011.06.010
None Molecular identity unknown EC50 2.4 nM 10.1016/j.ejmech.2010.04.032
None Molecular identity unknown EC50 2.4 nM 10.1021/jm0605031
None Molecular identity unknown EC50 2.4 nM 10.1021/jm0708984
None Molecular identity unknown EC50 2.4 nM 10.1021/jm801338r
None NON-PROTEIN TARGET AbsAC35_uM 0.285 uM None
None NON-PROTEIN TARGET AbsAC35_uM 0.651 uM None
None NON-PROTEIN TARGET Activity 0.0 % 10.1021/np50100a011
None NON-PROTEIN TARGET Activity 100.0 % 10.1021/np50100a011
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2016.06.007
None NON-PROTEIN TARGET EC50 1.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET EC50 60.88 nM 10.1021/jm9005059
None NON-PROTEIN TARGET EC50 366.6 nM 10.1021/jm9005059
None NON-PROTEIN TARGET EC50 nan None 10.1038/nchembio873
None NON-PROTEIN TARGET ED50 7.0 ug ml-1 10.1021/jm701208v
None NON-PROTEIN TARGET ED50 100.0 nM 10.1016/j.bmc.2011.01.001
None NON-PROTEIN TARGET Fu 0.4 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI 69.8 % 10.1016/j.ejmech.2014.03.046
None NON-PROTEIN TARGET GI 70.9 % 10.1016/j.ejmech.2014.03.046
None NON-PROTEIN TARGET GI 72.6 % 10.1016/j.ejmech.2014.03.046
None NON-PROTEIN TARGET GI 74.5 % 10.1016/j.ejmech.2014.03.046
None NON-PROTEIN TARGET GI50 2.9 nM 10.1021/jm100846r
None NON-PROTEIN TARGET GI50 100.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET GI50 200.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET GI50 300.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET GI50 340.0 nM 10.1021/jm100991m
None NON-PROTEIN TARGET GI50 430.0 nM 10.1021/jm100991m
None NON-PROTEIN TARGET GI50 2650.0 nM 10.1021/jm100991m
None NON-PROTEIN TARGET GI50 6860.0 nM 10.1021/jm100846r
None NON-PROTEIN TARGET GI50 9091.0 nM 10.1021/jm1011947
None NON-PROTEIN TARGET GI50 21000.0 nM 10.1021/jm100991m
None NON-PROTEIN TARGET GI50 106590.0 nM 10.1021/jm100991m
None NON-PROTEIN TARGET GI50 nan None 10.1021/jm100991m
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) 3.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 7.3 % 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 0.0007 ug.mL-1 10.1021/np070270w
None NON-PROTEIN TARGET IC50 0.025 ug.mL-1 10.1021/jm00123a030
None NON-PROTEIN TARGET IC50 0.87 nM 10.1016/j.ejmech.2015.08.035
None NON-PROTEIN TARGET IC50 1.2 nM 10.1016/j.bmc.2014.06.042
None NON-PROTEIN TARGET IC50 1.2 nM 10.1021/jm201031f
None NON-PROTEIN TARGET IC50 1.2 nM 10.1021/jm4011115
None NON-PROTEIN TARGET IC50 1.37 ug.mL-1 10.1021/np030278f
None NON-PROTEIN TARGET IC50 1.5 nM 10.1016/j.bmc.2015.06.043
None NON-PROTEIN TARGET IC50 1.5 nM 10.1016/j.ejmech.2014.02.061
None NON-PROTEIN TARGET IC50 2.1 nM 10.1016/j.bmc.2015.06.043
None NON-PROTEIN TARGET IC50 2.1 nM 10.1016/j.ejmech.2014.02.061
None NON-PROTEIN TARGET IC50 4.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 5.4 nM 10.1021/np800435c
None NON-PROTEIN TARGET IC50 5.4 ug.mL-1 10.1021/np500589u
None NON-PROTEIN TARGET IC50 7.2 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 9.3 nM 10.1016/j.bmc.2011.05.030
None NON-PROTEIN TARGET IC50 9.3 nM 10.1021/jm070194u
None NON-PROTEIN TARGET IC50 10.0 nM 10.1021/acsmedchemlett.6b00313
None NON-PROTEIN TARGET IC50 12.7 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 17.6 nM 10.1016/j.bmc.2014.06.042
None NON-PROTEIN TARGET IC50 17.6 nM 10.1021/jm201031f
None NON-PROTEIN TARGET IC50 17.6 nM 10.1021/jm4011115
None NON-PROTEIN TARGET IC50 20.0 nM 10.1016/j.bmc.2008.12.002
None NON-PROTEIN TARGET IC50 21.2 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 22.1 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 28.2 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 29.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 35.9 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 36.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 58.0 nM 10.1016/j.bmc.2008.11.016
None NON-PROTEIN TARGET IC50 58.0 nM 10.1016/j.bmcl.2007.03.070
None NON-PROTEIN TARGET IC50 58.0 nM 10.1021/jm060717i
None NON-PROTEIN TARGET IC50 80.0 nM 10.1021/np400297p
None NON-PROTEIN TARGET IC50 90.0 nM 10.1021/jm070534b
None NON-PROTEIN TARGET IC50 90.1 nM 10.1016/j.bmc.2014.06.042
None NON-PROTEIN TARGET IC50 90.1 nM 10.1021/jm201031f
None NON-PROTEIN TARGET IC50 90.1 nM 10.1021/jm4011115
None NON-PROTEIN TARGET IC50 96.4 nM 10.1016/j.bmc.2015.06.043
None NON-PROTEIN TARGET IC50 96.4 nM 10.1016/j.ejmech.2014.02.061
None NON-PROTEIN TARGET IC50 100.0 nM 10.1016/j.bmc.2007.07.020
None NON-PROTEIN TARGET IC50 100.0 nM 10.1021/jm070194u
None NON-PROTEIN TARGET IC50 100.0 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 168.0 nM 10.1021/acs.jmedchem.6b00021
None NON-PROTEIN TARGET IC50 300.0 nM 10.1016/j.ejmech.2016.05.010
None NON-PROTEIN TARGET IC50 303.2 nM 10.1021/jm301788a
None NON-PROTEIN TARGET IC50 308.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 311.0 nM 10.1016/j.bmcl.2007.04.030
None NON-PROTEIN TARGET IC50 350.0 nM 10.1021/acs.jmedchem.6b00021
None NON-PROTEIN TARGET IC50 387.43 nM 10.1016/j.ejmech.2015.08.035
None NON-PROTEIN TARGET IC50 561.0 nM 10.1021/acs.jmedchem.6b00021
None NON-PROTEIN TARGET IC50 570.0 nM 10.1016/j.bmcl.2014.12.083
None NON-PROTEIN TARGET IC50 800.0 nM 10.1039/C6MD00178E
None NON-PROTEIN TARGET IC50 840.0 nM 10.1021/jm9014394
None NON-PROTEIN TARGET IC50 871.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 895.0 nM 10.1016/j.bmcl.2006.09.068
None NON-PROTEIN TARGET IC50 900.0 nM 10.1016/j.ejmech.2016.05.010
None NON-PROTEIN TARGET IC50 926.0 nM 10.1016/j.ejmech.2016.07.002
None NON-PROTEIN TARGET IC50 1200.0 nM 10.1021/np0703747
None NON-PROTEIN TARGET IC50 1200.0 nM 10.1021/np800435c
None NON-PROTEIN TARGET IC50 1261.0 nM 10.1021/acs.jmedchem.6b00021
None NON-PROTEIN TARGET IC50 1300.0 nM 10.1016/j.ejmech.2016.05.045
None NON-PROTEIN TARGET IC50 1335.0 nM 10.1021/np0701778
None NON-PROTEIN TARGET IC50 1483.48 nM 10.1016/j.bmc.2010.07.055
None NON-PROTEIN TARGET IC50 1489.58 nM 10.1016/j.bmc.2010.07.055
None NON-PROTEIN TARGET IC50 1900.0 nM 10.1021/jm500024v
None NON-PROTEIN TARGET IC50 2035.0 nM 10.1016/j.bmc.2008.11.016
None NON-PROTEIN TARGET IC50 2035.0 nM 10.1016/j.bmcl.2007.03.070
None NON-PROTEIN TARGET IC50 2035.0 nM 10.1021/jm060717i
None NON-PROTEIN TARGET IC50 4100.0 nM 10.1039/C6MD00178E
None NON-PROTEIN TARGET IC50 5300.0 nM 10.1021/jm061366a
None NON-PROTEIN TARGET IC50 5720.0 nM 10.1016/j.bmc.2008.02.012
None NON-PROTEIN TARGET IC50 7500.0 nM 10.1021/acs.jnatprod.5b00992
None NON-PROTEIN TARGET IC50 7860.0 nM 10.1021/acs.jmedchem.6b00021
None NON-PROTEIN TARGET IC50 62800.0 nM 10.1016/j.ejmech.2016.05.045
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1016/j.bmc.2011.05.030
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.ejmech.2014.02.018
None NON-PROTEIN TARGET IC50 nan None 10.1021/jm301788a
None NON-PROTEIN TARGET IC50 nan None 10.1021/jm500024v
None NON-PROTEIN TARGET IC50 nan None 10.1021/jm9014394
None NON-PROTEIN TARGET LC50 79430.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET LC50 199500.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET LC50 251200.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET LC50 316200.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET LC50 630900.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET TGI 4000.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET TGI 6300.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET TGI 7900.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET TGI 15800.0 nM 10.1016/j.ejmech.2013.03.033
None NON-PROTEIN TARGET TGI 19900.0 nM 10.1016/j.ejmech.2013.03.033
None No relevant target LogD 2.57 None 10.1021/jm00169a014
None No relevant target LogP 2.8 None 10.1016/j.ejmech.2009.12.043
None No relevant target LogP 2.8 None 10.1021/jm00180a022
None No relevant target Log Pmic 2.48 None 10.1021/jm960068i
None Nucleic Acid Activity 100.0 % 10.1021/np50078a006
None PBL GI50 1200.0 nM 10.1021/acs.jmedchem.0c01315
None PBL GI50 7500.0 nM 10.1021/acs.jmedchem.0c01315
None Unchecked AbsAC35_uM 0.0015 uM None
None Unchecked Ac50 0.06853 uM None
None Unchecked Ac50 0.1122 uM None
None Unchecked Ac50 0.1367 uM None
None Unchecked Ac50 0.1534 uM None
None Unchecked Ac50 0.1721 uM None
None Unchecked Ac50 0.1931 uM None
None Unchecked Ac50 0.2167 uM None
None Unchecked Ac50 0.2818 uM None
None Unchecked Ac50 3.981 uM None
None Unchecked Ac50 8.627 uM None
None Unchecked Ac50 12.19 uM None
None Unchecked AC50 120.0 nM None
None Unchecked AC50 153.4 nM None
None Unchecked AC50 216.7 nM None
None Unchecked AC50 281.8 nM None
None Unchecked AC50 3981.1 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked AC50 50118.7 nM None
None Unchecked Activity 4.15 % 10.1016/j.ejmech.2017.02.021
None Unchecked Activity 6.96 % 10.1016/j.ejmech.2017.02.021
None Unchecked Activity 20.0 % 10.1021/np4008014
None Unchecked Activity 80.0 % 10.1021/np4008014
None Unchecked Activity 88.89 % 10.1016/j.ejmech.2017.02.021
None Unchecked Activity 713.0 a.u. 10.1016/j.ejmech.2017.04.025
None Unchecked Activity 747.0 a.u. 10.1016/j.ejmech.2018.03.001
None Unchecked Activity nan None 10.1016/j.bmc.2007.05.030
None Unchecked Activity nan None 10.1016/j.bmc.2010.07.055
None Unchecked Activity nan None 10.1016/j.bmc.2011.05.030
None Unchecked Activity nan None 10.1016/j.ejmech.2016.06.007
None Unchecked Activity nan None 10.1016/j.ejmech.2017.02.021
None Unchecked Activity nan None 10.1016/j.ejmech.2020.112158
None Unchecked Activity nan None 10.1021/acs.jmedchem.5b00659
None Unchecked Activity nan None 10.1021/jm070890u
None Unchecked EC50 2500.0 nM 10.1021/jm100659v
None Unchecked EC50 6200.0 nM 10.1021/np960144k
None Unchecked GI50 219.0 nM 10.1016/j.ejmech.2020.112158
None Unchecked Hepatotoxicity (acute) 5.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 7.0 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) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 1.0 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) 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 0.3 nM 10.1021/acs.jnatprod.8b00170
None Unchecked IC50 0.4 nM 10.1021/acs.jnatprod.8b00919
None Unchecked IC50 0.8 nM 10.1021/acs.jnatprod.9b00712
None Unchecked IC50 2.0 nM 10.1021/acs.jnatprod.6b00674
None Unchecked IC50 2.4 nM 10.1021/acs.jnatprod.5b01117
None Unchecked IC50 4.0 nM None
None Unchecked IC50 5.1 nM None
None Unchecked IC50 5.9 nM None
None Unchecked IC50 6.1 nM None
None Unchecked IC50 6.2 nM None
None Unchecked IC50 6.5 nM None
None Unchecked IC50 49.0 nM 10.1016/j.ejmech.2019.111584
None Unchecked IC50 141.0 nM 10.1021/acs.jmedchem.8b00035
None Unchecked IC50 238.7 nM 10.1021/acs.jmedchem.6b01502
None Unchecked IC50 357.51 nM 10.1021/acs.jmedchem.7b01259
None Unchecked IC50 400.0 nM 10.1016/j.bmcl.2017.07.063
None Unchecked IC50 417.0 nM 10.1021/acsmedchemlett.8b00125
None Unchecked IC50 435.85 nM 10.1016/j.ejmech.2020.113107
None Unchecked IC50 817.0 nM 10.1016/j.ejmech.2019.111584
None Unchecked IC50 1320.0 nM 10.1016/j.ejmech.2019.111584
None Unchecked IC50 2013.0 nM 10.1016/j.ejmech.2021.113930
None Unchecked IC50 4280.0 nM 10.1039/C8MD00125A
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 10200.0 nM 10.1016/j.ejmech.2021.113897
None Unchecked IC50 50300.0 nM 10.1016/j.ejmech.2020.112359
None Unchecked IC50 50300.0 nM 10.1016/j.ejmech.2020.112830
None Unchecked IC50 1875750.0 nM 10.1016/j.ejmech.2016.12.046
None Unchecked IC50 nan None 10.1016/j.bmcl.2018.11.023
None Unchecked IC50 nan None 10.1016/j.ejmech.2018.11.070
None Unchecked IC50 nan None None
None Unchecked Inhibition 50.0 % 10.1021/jm4016526
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.06.007
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.07.002
None Unchecked Inhibition nan % 10.1016/j.ejmech.2017.02.021
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.0c01482
None Unchecked Inhibition nan % 10.1021/jm100659v
None Unchecked Inhibition nan % 10.1021/jm300176j
None Unchecked Ki 85.0 nM 10.1016/j.ejmech.2019.111691
None Unchecked Ki nan None None
None Unchecked Log CR 2.28 None 10.1021/jm00169a014
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 2818.4 nM None
None Unchecked Potency 5011.9 nM None
None Unchecked Ratio 3.7 None 10.1016/j.bmcl.2003.12.015
None Unchecked Ratio 72.28 None 10.1016/j.bmcl.2003.12.015
None Unchecked Ratio ED50 0.002 None 10.1021/jm701208v
None Unchecked Ratio IC50 5.67 None 10.1021/acs.jmedchem.1c01775
None Unchecked Ratio IC50 22.46 None 10.1021/acs.jmedchem.1c01775
None Unchecked Ratio IC50 26.61 None 10.1016/j.bmcl.2018.04.019
None Unchecked Ratio IC50 32.0 None 10.1016/j.ejmech.2019.111584
None Unchecked Ratio IC50 47.0 None 10.1016/j.ejmech.2021.113897
None Unchecked Ratio IC50 143.7 None 10.1021/jm301788a
None Unchecked Ratio IC50 163.0 None 10.1016/j.ejmech.2019.111584
None Unchecked Ratio IC50 241.0 None 10.1016/j.ejmech.2018.11.070
None Unchecked Ratio IC50 301.0 None 10.1016/j.ejmech.2021.113930
None Unchecked Ratio IC50 440.0 None 10.1016/j.ejmech.2019.111584
None Unchecked Ratio IC50 646.0 None 10.1021/acsmedchemlett.8b00125
None Unchecked Ratio IC50 880.63 None 10.1016/j.ejmech.2016.12.046
None Unchecked Ratio IC50 925.0 None 10.1016/j.bmc.2008.11.016
None Unchecked Ratio IC50 925.0 None 10.1016/j.bmcl.2007.03.070
None Unchecked Ratio IC50 925.0 None 10.1021/jm060717i
None Unchecked Ratio IC50 1193.5 None 10.1021/acs.jmedchem.6b01502
None Unchecked Ratio IC50 1282.2 None 10.1016/j.ejmech.2021.113930
None Unchecked Ratio IC50 3173.0 None 10.1016/j.bmcl.2018.11.023
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2018.11.023
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2018.11.070
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2021.113930
None Unchecked Selectivity Index 22.0 None 10.1016/j.ejmech.2009.01.014

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010305 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1>>CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 RXN-18625