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name Structure Reference Source Properties Activities Metabolism

2-amino-3-{4-[bis(2-chloroethyl)amino]phenyl}propanoic acid

AlkaPlorer ID: AK029610

Synonym: None

IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Structure

SMILES: N[C@@H](CC1=CC=C(N(CCCl)CCCl)C=C1)C(=O)O

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InChI: InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1

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InChIKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N

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Reference

PubChem CID: 460612

CAS: 148-82-3

NPASS: NPC220547

Properties Information

Molecule Weight: 305.205

TPSA？: 66.56

MolLogP？: 1.925

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 5623.4 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
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
Cricetulus griseus CHO Log CR 1.18 None 10.1021/jm00169a014
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Homo sapiens 5637 IC50 310.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens 5637 IC50 1320.0 nM 10.1039/C3MD00252G
Homo sapiens 786-0 IC50 19200.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens A2780 Activity nan None 10.1021/ml300132t
Homo sapiens A-427 IC50 5130.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens A498 IC50 135000.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens A549 IC50 3000.0 nM 10.1021/ml300132t
Homo sapiens A549 IC50 50000.0 nM 10.1016/j.ejmech.2008.10.019
Homo sapiens A549 IC50 50000.0 nM 10.1016/j.ejmech.2009.11.041
Homo sapiens A549 IC50 50000.0 nM 10.1016/j.ejmech.2010.09.058
Homo sapiens Acetylcholinesterase AC50 20004.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN IC50 52100.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 2818.4 nM None
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 11183.0 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 Androgen Receptor Potency 28183.8 nM None
Homo sapiens Androgen Receptor Potency 35481.3 nM None
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 Arachidonate 15-lipoxygenase Potency 31622.8 nM None
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Beta-glucocerebrosidase Potency 39810.7 nM None
Homo sapiens Bile acid receptor FXR Potency 15848.9 nM None
Homo sapiens Bile acid receptor FXR Potency 39810.7 nM None
Homo sapiens Bile salt export pump IC50 93750.0 nM 10.1124/dmd.112.047068
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens 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 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 IC50 2.5 ug.mL-1 10.1007/s00044-010-9484-1
Homo sapiens CCRF-CEM IC50 1400.0 nM 10.1016/j.ejmech.2014.07.054
Homo sapiens CCRF-CEM IC50 1440.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens CCRF-CEM IC50 1740.0 nM 10.1016/j.bmc.2016.03.056
Homo sapiens CCRF-CEM IC50 2200.0 nM 10.1007/s00044-012-0184-x
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmc.2007.05.065
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmc.2008.04.029
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmc.2009.04.021
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmcl.2009.09.069
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmcl.2010.03.075
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.bmcl.2017.02.016
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.ejmech.2007.06.017
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.ejmech.2008.03.015
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.ejmech.2011.05.054
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1016/j.ejmech.2018.08.017
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/acs.jmedchem.5b01706
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/jm000058o
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/jm0002580
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/jm010559p
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/jm101595p
Homo sapiens CCRF-CEM IC50 2470.0 nM 10.1021/jm9806695
Homo sapiens CCRF-CEM IC50 2500.0 nM 10.1007/s00044-010-9458-3
Homo sapiens CCRF-CEM IC50 2500.0 nM 10.1016/j.bmcl.2010.01.098
Homo sapiens CCRF-CEM IC50 2600.0 nM 10.1016/j.bmc.2014.12.042
Homo sapiens CCRF-CEM IC50 3500.0 nM 10.1016/j.ejmech.2013.02.030
Homo sapiens CCRF-CEM IC50 3500.0 nM 10.1016/j.ejmech.2015.06.042
Homo sapiens CCRF-CEM IC50 6170.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens CCRF-CEM IC50 6170.0 nM 10.1021/jm101595p
Homo sapiens Cellular tumor antigen p53 Potency 25118.9 nM None
Homo sapiens Cellular tumor antigen p53 Potency 39810.7 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens COLO 205 IC50 32400.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens COLO 205 IC50 66100.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens COLO 205 IC50 66100.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens COLO 205 IC50 66100.0 nM 10.1021/jm101595p
Homo sapiens Colon carcinoma cell MG MID 44.6 uM 10.1021/jm000058o
Homo sapiens Cyclooxygenase-1 AC50 6817.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 3162.3 nM None
Homo sapiens D283 Med IC50 6800.0 nM 10.1021/jm960592p
Homo sapiens D283 Med IC50 16300.0 nM 10.1021/jm960592p
Homo sapiens D341 cell line IC50 12400.0 nM 10.1021/jm960592p
Homo sapiens D341 cell line IC50 52400.0 nM 10.1021/jm960592p
Homo sapiens DAN-G IC50 2650.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens DAN-G IC50 2650.0 nM 10.1039/C3MD00252G
Homo sapiens Daoy IC50 55400.0 nM 10.1021/jm960592p
Homo sapiens Daoy IC50 140400.0 nM 10.1021/jm960592p
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DLD-1 IC50 3000.0 nM 10.1021/ml300132t
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 24799.3 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 16941.4 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 dsDNA Activity 4.9 % 10.1021/acs.jmedchem.8b00559
Homo sapiens DU-145 IC50 96310.0 nM 10.1016/j.ejmech.2012.04.039
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 alpha Potency 25118.9 nM None
Homo sapiens Estrogen receptor alpha Potency 35481.3 nM None
Homo sapiens Estrogen receptor alpha Potency 44668.4 nM None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None 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 Geminin Potency 1299.5 nM None
Homo sapiens Geminin Potency 2985.5 nM None
Homo sapiens Geminin Potency 5173.5 nM None
Homo sapiens Geminin Potency 29855.4 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 5623.4 nM None
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 22387.2 nM None
Homo sapiens H2981 cell line IC50 5000.0 nM 10.1021/jm00059a018
Homo sapiens HCC 2998 IC50 41700.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens HCC 2998 IC50 41700.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HCC 2998 IC50 41700.0 nM 10.1021/jm101595p
Homo sapiens HCC 2998 IC50 52500.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens HCT-116 IC50 3000.0 nM 10.1021/ml300132t
Homo sapiens HCT-116 IC50 20900.0 nM 10.1016/j.ejmech.2012.04.039
Homo sapiens HCT-116 IC50 30200.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens HCT-116 IC50 30200.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HCT-116 IC50 30200.0 nM 10.1021/jm101595p
Homo sapiens HCT-15 IC50 36300.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens HCT-15 IC50 36300.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HCT-15 IC50 36300.0 nM 10.1021/jm101595p
Homo sapiens HEK293 AC50 10270.0 nM None
Homo sapiens HeLa IC50 1700.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens HeLa IC50 1900.0 nM 10.1016/j.bmcl.2010.11.083
Homo sapiens HeLa IC50 1900.0 nM 10.1016/j.ejmech.2013.02.030
Homo sapiens HeLa IC50 1900.0 nM 10.1016/j.ejmech.2015.06.042
Homo sapiens HeLa IC50 2100.0 nM 10.1007/s00044-012-0184-x
Homo sapiens HeLa IC50 2700.0 nM 10.1016/j.bmc.2014.12.042
Homo sapiens HeLa IC50 23990.0 nM 10.1016/j.ejmech.2012.04.039
Homo sapiens HeLa IC50 88900.0 nM 10.1016/j.bmc.2020.115599
Homo sapiens HeLa IC50 nan None 10.1016/j.bmcl.2010.03.075
Homo sapiens HeLa IC50 nan None 10.1016/j.ejmech.2014.07.054
Homo sapiens HeLa ID50 1.77e-06 M 10.1021/jm00124a008
Homo sapiens HEp-2 ID50 9.8e-07 M 10.1021/jm00124a008
Homo sapiens HepG2 GI50 17000.0 nM 10.1016/j.bmcl.2007.11.092
Homo sapiens HepG2 IC50 0.41 ug.mL-1 10.1016/j.bmcl.2015.08.035
Homo sapiens HERG AC50 4800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens HERG Potency 15848.9 nM 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 2511.9 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7943.3 nM None
Homo sapiens HL-60 CC50 890.0 nM 10.1016/j.bmcl.2017.02.016
Homo sapiens HL-60 CC50 1400.0 nM 10.1016/j.bmcl.2010.09.051
Homo sapiens HL-60 CC50 1400.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HL-60 CC50 1400.0 nM 10.1021/jm101595p
Homo sapiens HL-60 CC50 2900.0 nM 10.1016/j.ejmech.2007.06.017
Homo sapiens HL-60 CC50 6000.0 nM 10.1016/j.bmc.2007.03.022
Homo sapiens HL-60 CC50 6000.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens HL-60 CC50 6000.0 nM 10.1016/j.bmcl.2009.12.076
Homo sapiens HL-60 CC50 6000.0 nM 10.1016/j.ejmech.2007.03.010
Homo sapiens HL-60 CC50 6000.0 nM 10.1016/j.ejmech.2008.03.015
Homo sapiens HL-60 IC50 2040.0 nM 10.1021/jm101595p
Homo sapiens HL-60 IC50 11400.0 nM 10.1016/j.ejmech.2007.05.005
Homo sapiens HL-60 Ratio 150.0 None 10.1016/j.ejmech.2012.02.042
Homo sapiens HL-60 Ratio 150.0 None 10.1021/jm101595p
Homo sapiens HL-60 Selectivity Index 33.0 None 10.1016/j.bmcl.2009.12.076
Homo sapiens HL-60 Selectivity Index 150.0 None 10.1016/j.bmcl.2010.09.051
Homo sapiens HL-60 Selectivity Index 150.0 None 10.1021/acs.jmedchem.5b01706
Homo sapiens HL-60(TB) IC50 380.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens HL-60(TB) IC50 2040.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Apoptotic index 63.0 None 10.1021/jm000058o
Homo sapiens Homo sapiens CL 7.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.91 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 5.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 71.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens F 71.0 % 10.1021/jm901421c
Homo sapiens Homo sapiens IC50 2200.0 nM 10.1021/jm000058o
Homo sapiens Homo sapiens IC50 2470.0 nM 10.1021/jm970432t
Homo sapiens Homo sapiens IC50 3240.0 nM 10.1021/jm970432t
Homo sapiens Homo sapiens IC50 26300.0 nM 10.1021/jm9801455
Homo sapiens Homo sapiens IC80 3.52 uM 10.1021/jm000058o
Homo sapiens Homo sapiens Inhibition 17.3 % 10.1021/jm000058o
Homo sapiens Homo sapiens Inhibition 85.1 % 10.1021/jm000058o
Homo sapiens Homo sapiens LBF 30.0 % 10.1021/jm901421c
Homo sapiens HSC-2 CC50 8700.0 nM 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-2 CC50 8700.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-2 CC50 8700.0 nM 10.1021/jm101595p
Homo sapiens HSC-2 CC50 12000.0 nM 10.1016/j.bmcl.2017.02.016
Homo sapiens HSC-2 CC50 28000.0 nM 10.1016/j.ejmech.2007.06.017
Homo sapiens HSC-2 CC50 35000.0 nM 10.1016/j.bmc.2007.03.022
Homo sapiens HSC-2 CC50 35000.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens HSC-2 CC50 35000.0 nM 10.1016/j.bmcl.2009.12.076
Homo sapiens HSC-2 CC50 35000.0 nM 10.1016/j.ejmech.2007.03.010
Homo sapiens HSC-2 CC50 35000.0 nM 10.1016/j.ejmech.2008.03.015
Homo sapiens HSC-2 Ratio 24.1 None 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-2 Ratio 24.1 None 10.1021/jm101595p
Homo sapiens HSC-2 Selectivity Index 4.65 None 10.1016/j.bmc.2016.03.056
Homo sapiens HSC-2 Selectivity Index 5.7 None 10.1016/j.bmcl.2009.12.076
Homo sapiens HSC-2 Selectivity Index 24.0 None 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-2 Selectivity Index 24.1 None 10.1021/acs.jmedchem.5b01706
Homo sapiens HSC-3 CC50 25000.0 nM 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-3 CC50 25000.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-3 CC50 25000.0 nM 10.1021/jm101595p
Homo sapiens HSC-3 CC50 46000.0 nM 10.1016/j.bmcl.2017.02.016
Homo sapiens HSC-3 CC50 115000.0 nM 10.1016/j.bmc.2007.03.022
Homo sapiens HSC-3 CC50 115000.0 nM 10.1016/j.ejmech.2008.03.015
Homo sapiens HSC-3 CC50 121000.0 nM 10.1016/j.ejmech.2007.06.017
Homo sapiens HSC-3 Ratio 8.4 None 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-3 Ratio 8.4 None 10.1021/jm101595p
Homo sapiens HSC-3 Selectivity Index 7.84 None 10.1016/j.bmc.2016.03.056
Homo sapiens HSC-3 Selectivity Index 8.4 None 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-3 Selectivity Index 8.4 None 10.1021/acs.jmedchem.5b01706
Homo sapiens HSC-4 CC50 32000.0 nM 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-4 CC50 32000.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-4 CC50 32000.0 nM 10.1021/jm101595p
Homo sapiens HSC-4 CC50 46000.0 nM 10.1016/j.bmcl.2017.02.016
Homo sapiens HSC-4 CC50 81000.0 nM 10.1016/j.bmc.2007.03.022
Homo sapiens HSC-4 CC50 81000.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens HSC-4 CC50 81000.0 nM 10.1016/j.bmcl.2009.12.076
Homo sapiens HSC-4 CC50 81000.0 nM 10.1016/j.ejmech.2007.03.010
Homo sapiens HSC-4 CC50 81000.0 nM 10.1016/j.ejmech.2008.03.015
Homo sapiens HSC-4 CC50 115000.0 nM 10.1016/j.ejmech.2007.06.017
Homo sapiens HSC-4 Ratio 6.56 None 10.1016/j.ejmech.2012.02.042
Homo sapiens HSC-4 Ratio 6.6 None 10.1021/jm101595p
Homo sapiens HSC-4 Selectivity Index 2.5 None 10.1016/j.bmcl.2009.12.076
Homo sapiens HSC-4 Selectivity Index 6.56 None 10.1021/acs.jmedchem.5b01706
Homo sapiens HSC-4 Selectivity Index 6.6 None 10.1016/j.bmcl.2010.09.051
Homo sapiens HSC-4 Selectivity Index 6.99 None 10.1016/j.bmc.2016.03.056
Homo sapiens HT-29 IC50 3000.0 nM 10.1021/ml300132t
Homo sapiens HT-29 IC50 46800.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens HT-29 IC50 46800.0 nM 10.1021/jm101595p
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 50118.7 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 125892.5 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 JJN-3 Activity 19.3 % 10.1016/j.bmc.2013.04.080
Homo sapiens JJN-3 Activity 23.7 % 10.1016/j.bmc.2013.04.080
Homo sapiens JJN-3 Activity 54.5 % 10.1016/j.bmc.2013.04.080
Homo sapiens Jurkat IC50 2200.0 nM 10.1021/jm0002580
Homo sapiens Jurkat IC50 2200.0 nM 10.1021/jm9806695
Homo sapiens Jurkat IC80 3.52 uM 10.1021/jm0002580
Homo sapiens Jurkat IC80 3.52 uM 10.1021/jm9806695
Homo sapiens Jurkat Inhibition 17.3 % 10.1021/jm0002580
Homo sapiens Jurkat Inhibition 30.5 % 10.1021/jm9806695
Homo sapiens Jurkat Inhibition 85.1 % 10.1021/jm0002580
Homo sapiens Jurkat Inhibition 85.1 % 10.1021/jm9806695
Homo sapiens K562 IC50 30000.0 nM 10.1016/s0960-894x(03)00328-7
Homo sapiens K562 IC50 30000.0 nM 10.1021/jm040790d
Homo sapiens K562 IC50 33370.0 nM 10.1021/ml500141f
Homo sapiens K562 IC50 35000.0 nM 10.1021/jm00059a011
Homo sapiens K562 IC50 43700.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens K562 IC50 43700.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens K562 IC50 43700.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens K562 IC50 43700.0 nM 10.1021/jm101595p
Homo sapiens K562 IC50 65660.0 nM 10.1016/j.ejmech.2022.114494
Homo sapiens K562 IC50 195000.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KM12 IC50 43700.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens KM12 IC50 43700.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens KM12 IC50 43700.0 nM 10.1021/jm101595p
Homo sapiens KM12 IC50 57500.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens KYSE-510 IC50 8180.0 nM 10.1016/j.ejmech.2007.11.017
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 LoVo IC50 4090.0 nM 10.1021/jm00051a009
Homo sapiens LoVo IC50 4900.0 nM 10.1021/jm00051a009
Homo sapiens Lymphoblastoid cell Potency 10000.0 nM None
Homo sapiens Lymphoblastoid cell Potency 15848.9 nM None
Homo sapiens Lymphoblastoid cell Potency 19952.6 nM None
Homo sapiens Lymphoblastoid cell Potency 25118.9 nM None
Homo sapiens Lymphoblastoid cell Potency 31622.8 nM None
Homo sapiens Lymphoblastoid cell Potency 39810.7 nM None
Homo sapiens Lymphoblastoid cell Potency 50118.7 nM None
Homo sapiens M4Beu cell line Cellular uptake 21.95 pM ul-1 10.1021/jm010926x
Homo sapiens M4Beu cell line IC50 1200.0 nM 10.1021/jm010926x
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 MCF-10A IC50 40000.0 nM 10.1016/j.bmc.2021.116341
Homo sapiens MCF7 IC50 3710.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens MCF7 IC50 3710.0 nM 10.1039/C3MD00252G
Homo sapiens MCF7 IC50 8480.0 nM 10.1016/j.bmc.2021.116341
Homo sapiens MCF7 IC50 19580.0 nM 10.1021/ml500141f
Homo sapiens MCF7 IC50 20000.0 nM 10.1016/j.ejmech.2022.114494
Homo sapiens MCF7 IC50 61000.0 nM 10.1016/j.bmc.2020.115599
Homo sapiens MCF7 IC50 77000.0 nM 10.1016/j.ejmech.2022.114494
Homo sapiens MCF7 T/C 20.0 % 10.1016/j.ejmech.2011.02.008
Homo sapiens MCF7S IC50 300.0 nM 10.1021/jm010926x
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.ejmech.2011.02.008
Homo sapiens MDA-MB-231 IC50 20000.0 nM 10.1016/j.bmc.2021.116341
Homo sapiens MDA-MB-231 Inhibition 40.0 % 10.1016/j.ejmech.2022.114494
Homo sapiens MDA-MB-468 IC50 810.0 nM 10.1016/j.bmcl.2019.03.015
Homo sapiens MDA-MB-468 IC50 1000.0 nM 10.1016/j.bmcl.2019.03.015
Homo sapiens MDA-MB-468 IC50 48700.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens MDA-MB-468 IC50 48700.0 nM 10.1021/acs.jmedchem.8b00559
Homo sapiens MDA-MB-468 Ratio IC50 1.2 None 10.1016/j.bmcl.2019.03.015
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 MGC-803 IC50 36880.0 nM 10.1021/ml500141f
Homo sapiens MOLT-3 IC50 300.0 nM 10.1016/j.bmc.2007.03.054
Homo sapiens MOLT-4 IC50 3.2 ug.mL-1 10.1007/s00044-010-9484-1
Homo sapiens MOLT-4 IC50 3200.0 nM 10.1007/s00044-010-9458-3
Homo sapiens MOLT-4 IC50 3240.0 nM 10.1016/j.ejmech.2011.05.054
Homo sapiens MOLT-4 IC50 3240.0 nM 10.1021/jm000058o
Homo sapiens MOLT-4 IC50 3240.0 nM 10.1021/jm9806695
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 10000.0 nM None
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 20581.2 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 21907.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 13579.7 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 NCI-H1299 Activity 47.3 % 10.1016/j.bmc.2008.04.024
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 NSCLC GI50 6760.83 nM 10.1016/j.ejmech.2010.11.007
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 42163.2 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 54482.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 66824.2 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 26603.2 nM None
Homo sapiens PANC-1 IC50 3000.0 nM 10.1021/ml300132t
Homo sapiens Panel NCI-60 (60 carcinoma cell lines) GI50 29000.0 nM 10.1021/acs.jmedchem.7b01202
Homo sapiens PBMC EC50 3000.0 nM 10.1016/j.ejmech.2011.09.012
Homo sapiens PBMC EC50 3000.0 nM 10.1021/acs.jnatprod.6b00967
Homo sapiens PC-3 IC50 70000.0 nM 10.1016/j.ejmech.2008.10.019
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 5011.9 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 39810.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 17782.8 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 39810.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 50118.7 nM 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 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 Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Retinoid X receptor alpha Potency 8912.5 nM None
Homo sapiens Retinoid X receptor alpha Potency 15848.9 nM None
Homo sapiens RPMI-8226 IC50 66100.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens RPMI-8226 IC50 66100.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens RPMI-8226 IC50 66100.0 nM 10.1021/jm101595p
Homo sapiens RT-112 IC50 4690.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens RT-4 IC50 14250.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens SAOS-2 IC50 680.0 nM 10.1016/j.ejmech.2022.114494
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 SF-126 IC50 103000.0 nM 10.1021/jm960592p
Homo sapiens SF-188 IC50 35400.0 nM 10.1021/jm960592p
Homo sapiens SGC-7901 IC50 50960.0 nM 10.1016/j.ejmech.2012.04.039
Homo sapiens SH-SY5Y IC50 5500.0 nM 10.1016/j.ejmech.2012.04.039
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SISO IC50 1000.0 nM 10.1016/j.ejmech.2007.11.017
Homo sapiens SK-OV-3 IC50 60000.0 nM 10.1016/j.ejmech.2008.10.019
Homo sapiens SK-OV-3 IC50 60000.0 nM 10.1016/j.ejmech.2009.11.041
Homo sapiens SN12C IC50 71000.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens SR IC50 1860.0 nM 10.1016/j.bmc.2008.03.060
Homo sapiens SR IC50 1860.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens SR IC50 3240.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens Survival motor neuron protein Potency 14125.4 nM None
Homo sapiens SW-620 IC50 1220.0 nM 10.1016/j.bmcl.2019.03.015
Homo sapiens SW-620 IC50 1810.0 nM 10.1016/j.bmcl.2019.03.015
Homo sapiens SW-620 IC50 26900.0 nM 10.1016/j.ejmech.2014.03.009
Homo sapiens SW-620 IC50 38900.0 nM 10.1016/j.ejmech.2006.08.002
Homo sapiens SW-620 IC50 38900.0 nM 10.1016/j.ejmech.2012.02.042
Homo sapiens SW-620 IC50 38900.0 nM 10.1021/jm101595p
Homo sapiens SW-620 Ratio IC50 1.5 None 10.1016/j.bmcl.2019.03.015
Homo sapiens TAR DNA-binding protein 43 Potency 31622.8 nM None
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 TK-10 IC50 54500.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens Tumor cancer cell line MG MID 23.5 uM 10.1021/jm000058o
Homo sapiens Tumor Cell line IC50 26300.0 nM 10.1021/jm970432t
Homo sapiens Tumor Cell line MG MID 25.7 uM 10.1021/jm9806695
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 231.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 259.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 530.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 56234.1 nM None
Homo sapiens U-251 IC50 3000.0 nM 10.1021/ml300132t
Homo sapiens U2OS IC50 680.0 nM 10.1016/j.ejmech.2022.114494
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 89125.1 nM None
Homo sapiens UO-31 IC50 42900.0 nM 10.1016/j.ejmech.2017.03.041
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Homo sapiens YAPC IC50 5950.0 nM 10.1016/j.ejmech.2007.11.017
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Mus musculus B16 IC50 2200.0 nM 10.1021/jm010926x
Mus musculus B16-F10 Activity nan None 10.1016/j.ejmech.2013.10.080
Mus musculus Ehrlich Activity 0.1 ml 10.1021/jm00222a008
Mus musculus Ehrlich Activity 0.1 ml 10.1021/jm00222a009
Mus musculus Ehrlich Activity 3.0 % 10.1021/jm00222a009
Mus musculus Ehrlich Activity nan None 10.1021/jm00222a009
Mus musculus Ehrlich Inhibition 99.0 % 10.1021/jm00222a008
Mus musculus Ehrlich Survival nan None 10.1021/jm00222a008
Mus musculus Ehrlich TGI 99.0 % 10.1021/jm00222a009
Mus musculus FM3A IC50 3600.0 nM 10.1016/j.ejmech.2013.02.030
Mus musculus FM3A IC50 3600.0 nM 10.1016/j.ejmech.2015.06.042
Mus musculus FM3A IC50 nan None 10.1016/j.bmcl.2010.03.075
Mus musculus L1210 ED50 0.15 ug ml-1 10.1021/jm00125a003
Mus musculus L1210 ED50 0.15 ug ml-1 10.1021/jm00164a039
Mus musculus L1210 ED50 0.89 ug ml-1 10.1016/s0960-894x(01)00260-8
Mus musculus L1210 IC50 2.1 ug.mL-1 10.1007/s00044-010-9484-1
Mus musculus L1210 IC50 980.5 nM 10.1016/s0960-894x(00)00295-x
Mus musculus L1210 IC50 1097.64 nM 10.1021/jm031051k
Mus musculus L1210 IC50 2100.0 nM 10.1007/s00044-010-9458-3
Mus musculus L1210 IC50 2100.0 nM 10.1016/j.bmcl.2010.01.098
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmc.2007.05.065
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmc.2008.03.060
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmc.2008.04.029
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmcl.2009.09.069
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmcl.2010.03.075
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.bmcl.2017.02.016
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.ejmech.2007.06.017
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.ejmech.2008.03.015
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.ejmech.2011.05.054
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.ejmech.2014.07.054
Mus musculus L1210 IC50 2130.0 nM 10.1016/j.ejmech.2018.08.017
Mus musculus L1210 IC50 2130.0 nM 10.1021/acs.jmedchem.5b01706
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm000058o
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm0002580
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm010559p
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm101595p
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm970432t
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm9801455
Mus musculus L1210 IC50 2130.0 nM 10.1021/jm9806695
Mus musculus L1210 IC50 3200.0 nM 10.1007/s00044-012-0184-x
Mus musculus L1210 IC50 4850.0 nM 10.1016/j.ejmech.2014.03.009
Mus musculus L1210 IC50 5393.18 nM 10.1021/jm031051k
Mus musculus L1210 IC50 5800.0 nM 10.1016/j.bmc.2014.12.042
Mus musculus L1210 IC50 5940.0 nM 10.1016/j.bmc.2016.03.056
Mus musculus L1210 IC50 8600.0 nM 10.1016/j.bmcl.2010.11.083
Mus musculus L1210 IC50 8600.0 nM 10.1016/j.ejmech.2013.02.030
Mus musculus L1210 IC50 8600.0 nM 10.1016/j.ejmech.2015.06.042
Mus musculus L1210 IC50 15330.0 nM 10.1021/jm00051a009
Mus musculus L1210 IC50 47010.0 nM 10.1021/jm00051a009
Mus musculus L1210 IC50 94600.0 nM 10.1021/jm0002580
Mus musculus L1210 IC50 94600.0 nM 10.1021/jm010559p
Mus musculus L1210 IC50 100000.0 nM 10.1021/jm0002580
Mus musculus L1210 IC50 100000.0 nM 10.1021/jm010559p
Mus musculus L1210 ID50 1.7e-06 M 10.1021/jm00124a008
Mus musculus L1210 Ki 111600.0 nM 10.1021/jm00386a017
Mus musculus L1210 LD90 35.0 uM 10.1021/jm00386a017
Mus musculus L1210 OD 10.0 mg kg-1 10.1021/jm00124a008
Mus musculus L1210 Ratio 0.2 None 10.1021/jm031051k
Mus musculus L1210 Survival 0.0 % 10.1021/jm00125a003
Mus musculus L1210 Survival 2.8 % 10.1021/jm00125a003
Mus musculus L1210 T/C 192.0 % 10.1021/jm00124a008
Mus musculus L1210/LPAM ID50 1.31e-05 M 10.1021/jm00124a008
Mus musculus L1210/LPAM OD 10.0 mg kg-1 10.1021/jm00124a008
Mus musculus L1210/LPAM T/C 104.0 % 10.1021/jm00124a008
Mus musculus MC3T3-E1 IC50 680.0 nM 10.1016/j.ejmech.2022.114494
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus Activity 4.0 mg kg-1 10.1016/j.bmc.2010.01.069
Mus musculus Mus musculus Activity 51.0 % 10.1021/jm00197a027
Mus musculus Mus musculus Activity 100.0 % 10.1021/jm00197a027
Mus musculus Mus musculus Inhibition 99.9 % 10.1021/jm00177a012
Mus musculus Mus musculus LD50 4.0 mg.kg-1 10.1016/j.ejmech.2007.06.017
Mus musculus Mus musculus LD50 21.7 mg.kg-1 10.1016/j.bmcl.2017.02.016
Mus musculus Mus musculus LD50 21.7 mg.kg-1 10.1021/jm101595p
Mus musculus Mus musculus Survival after 10 days 6.0 None 10.1021/jm00177a012
Mus musculus Mus musculus Survival ratio 3.0 None 10.1016/s0960-894x(01)00260-8
Mus musculus Mus musculus Volume of ascrit fluid 3.0 None 10.1021/jm00177a012
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 Change in body weight 0.0 g mouse-1 10.1021/jm00105a007
Mus musculus P388 Change in body weight 0.1 g mouse-1 10.1021/jm00105a007
Mus musculus P388 Change in body weight 0.4 g mouse-1 10.1021/jm00105a007
Mus musculus P388 Change in body weight 0.6 g mouse-1 10.1021/jm00105a007
Mus musculus P388 IC50 220.0 nM 10.1016/j.ejmech.2018.08.017
Mus musculus P388 IC50 220.0 nM 10.1021/jm000058o
Mus musculus P388 IC50 220.0 nM 10.1021/jm0002580
Mus musculus P388 IC50 220.0 nM 10.1021/jm010559p
Mus musculus P388 IC50 220.0 nM 10.1021/jm970432t
Mus musculus P388 IC50 220.0 nM 10.1021/jm9801455
Mus musculus P388 IC50 220.0 nM 10.1021/jm9806695
Mus musculus P388 ILS 14.0 % 10.1021/jm00105a007
Mus musculus P388 ILS 15.0 % 10.1021/jm00105a007
Mus musculus P388 ILS 118.0 % 10.1021/jm00105a007
Mus musculus P388 ILS 121.0 % 10.1021/jm00105a007
Mus musculus P388 Median day of death 15.0 None 10.1021/jm00105a007
Mus musculus P388 Median day of death 16.0 None 10.1021/jm00105a007
Mus musculus P388 Median day of death 24.0 None 10.1021/jm00105a007
Mus musculus P388 Median day of death 26.5 None 10.1021/jm00105a007
Mus musculus P388 Mortality 19.0 day 10.1021/jm00105a007
Mus musculus P388 Mortality 31.0 day 10.1021/jm00105a007
Mus musculus P388 Mortality 34.0 day 10.1021/jm00105a007
Mus musculus P388 Survivors 0.0 None 10.1021/jm00105a007
Mus musculus P388 T/C 168.0 % 10.1021/jm00205a022
Mus musculus P388 T/C 168.0 % 10.1021/jm00206a021
Mus musculus P388 Total dose 5.0 mg kg-1 10.1021/jm00105a007
Oncorhynchus gorbuscha Salmon testes DNA Activity nan None 10.1021/acs.jnatprod.0c00946
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 10000.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 12589.25 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 15848.93 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 11995.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
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/np960144k
Rattus norvegicus C6 IC50 11000.0 nM 10.1021/jm960592p
Rattus norvegicus C6 IC50 12600.0 nM 10.1021/jm060020x
Rattus norvegicus C6 IC50 74900.0 nM 10.1021/jm960592p
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 L-type amino acid transporter 1 Inhibition nan % 10.1016/j.bmcl.2010.04.086
Rattus norvegicus L-type amino acid transporter 1 Ki 55000.0 nM 10.1016/j.bmcl.2010.04.086
Rattus norvegicus L-type amino acid transporter 1 Km 90000.0 nM 10.1016/j.bmcl.2010.04.086
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Peripheral myelin protein 22 Potency 9074.3 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 9992.4 nM None
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 273.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 346.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 352.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 430.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 43.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 47.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 50.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 74.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 75.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.33 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 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 108.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 666.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 686.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 696.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 746.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 180.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 205.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 206.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 312.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 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 CREAT 2.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 46.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 202.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 212.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 270.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1370.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1713.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.43 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 85.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 89.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 98.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 164.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6013.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10252.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11254.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13398.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.03 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.33 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 375300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 376300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 381300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 382300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.83 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 20.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 619.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1000.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1345.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1364.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 131.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 132.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1151000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1253000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1333670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1376000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.85 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.75 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5370000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5500000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5640000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5670000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 19.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 22.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 6700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12470.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus RG2 IC50 15200.0 nM 10.1021/jm960592p
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
Rattus norvegicus W256 Survival 23.0 day 10.1021/jm00222a008
Rattus norvegicus W256 Survival 23.0 day 10.1021/jm00222a009
Rattus norvegicus W256 T/C 305.0 % 10.1021/jm00222a009
Rattus norvegicus W256 T/C 305.0 None 10.1021/jm00222a008
Rattus norvegicus W256 T/C 317.0 % 10.1021/jm00205a022
Rattus norvegicus W256 T/C 317.0 % 10.1021/jm00206a021
Rattus norvegicus W256 T/C 317.0 % 10.1021/jm00217a009
Schistosoma mansoni Thioredoxin glutathione reductase Potency 14125.4 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.13 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
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET ascrit 0.1 None 10.1021/jm00177a012
None ADMET CC50 77100.0 nM 10.1016/j.bmc.2016.03.056
None ADMET CC50 78000.0 nM 10.1016/j.bmc.2016.03.056
None ADMET CC50 161000.0 nM 10.1016/j.bmcl.2010.09.051
None ADMET CC50 161000.0 nM 10.1016/j.ejmech.2012.02.042
None ADMET CC50 161000.0 nM 10.1021/acs.jmedchem.5b01706
None ADMET CC50 161000.0 nM 10.1021/jm101595p
None ADMET CC50 199000.0 nM 10.1016/j.bmcl.2010.09.051
None ADMET CC50 199000.0 nM 10.1016/j.ejmech.2012.02.042
None ADMET CC50 199000.0 nM 10.1021/acs.jmedchem.5b01706
None ADMET CC50 199000.0 nM 10.1021/jm101595p
None ADMET CC50 200000.0 nM 10.1016/j.bmc.2007.03.022
None ADMET CC50 200000.0 nM 10.1016/j.bmc.2008.03.060
None ADMET CC50 200000.0 nM 10.1016/j.bmcl.2009.12.076
None ADMET CC50 200000.0 nM 10.1016/j.ejmech.2007.03.010
None ADMET CC50 200000.0 nM 10.1016/j.ejmech.2007.06.017
None ADMET CC50 200000.0 nM 10.1016/j.ejmech.2008.03.015
None ADMET CC50 269000.0 nM 10.1016/j.bmcl.2010.09.051
None ADMET CC50 269000.0 nM 10.1016/j.ejmech.2012.02.042
None ADMET CC50 269000.0 nM 10.1021/acs.jmedchem.5b01706
None ADMET CC50 269000.0 nM 10.1021/jm101595p
None ADMET CL 7.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Cp(f) 2.5 ug ml-1 10.1016/j.ejmech.2022.114494
None ADMET IC50 2040.0 nM 10.1016/j.ejmech.2006.08.002
None ADMET IC50 26900.0 nM 10.1016/j.ejmech.2006.08.002
None ADMET IC50 66100.0 nM 10.1016/j.ejmech.2006.08.002
None ADMET MRT 1.1 hr 10.1124/dmd.108.020479
None ADMET permeability 84.0 10'-6 cm/s 10.1021/jm901421c
None ADMET PPB 40.0 ug ml-1 10.1016/j.ejmech.2022.114494
None ADMET PPB 69.0 % 10.1016/j.ejmech.2022.114494
None ADMET Ratio 0.4 None 10.1021/jm00386a017
None ADMET Ratio IC50 2.2 None 10.1016/j.bmc.2014.12.042
None ADMET T1/2 0.7667 hr 10.1016/s0960-894x(00)00496-0
None ADMET T1/2 0.8667 hr 10.1016/s0960-894x(00)00496-0
None ADMET T1/2 1.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 2.0 hr 10.1021/jm00386a017
None ADMET T1/2 nan hr 10.1016/s0960-894x(00)00496-0
None ADMET Vdss 0.48 L.kg-1 10.1124/dmd.108.020479
None Astrocyte IC50 34000.0 nM 10.1021/jm060020x
None CFU-C LD90 14.0 uM 10.1021/jm00386a017
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 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 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 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 1.0 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 leukaemia cell line MG MID 4.65 uM 10.1021/jm000058o
None Molecular identity unknown Potency 21131.7 nM None
None Molecular identity unknown Potency 44668.4 nM None
None NON-PROTEIN TARGET Activity nan None 10.1021/ml300132t
None NON-PROTEIN TARGET CC50 900.0 nM 10.1021/jm010926x
None NON-PROTEIN TARGET CC50 1400.0 nM 10.1021/acs.jmedchem.5b01706
None NON-PROTEIN TARGET CC50 1600.0 nM 10.1021/jm010926x
None NON-PROTEIN TARGET CC50 8700.0 nM 10.1021/acs.jmedchem.5b01706
None NON-PROTEIN TARGET CC50 9900.0 nM 10.1016/j.bmc.2016.03.056
None NON-PROTEIN TARGET CC50 11100.0 nM 10.1016/j.bmc.2016.03.056
None NON-PROTEIN TARGET CC50 14000.0 nM 10.1016/j.bmcl.2016.01.005
None NON-PROTEIN TARGET CC50 16700.0 nM 10.1016/j.bmc.2016.03.056
None NON-PROTEIN TARGET CC50 25000.0 nM 10.1021/acs.jmedchem.5b01706
None NON-PROTEIN TARGET CC50 32000.0 nM 10.1021/acs.jmedchem.5b01706
None NON-PROTEIN TARGET EC50 2000.0 nM 10.1016/j.ejmech.2011.09.012
None NON-PROTEIN TARGET Fu 0.14 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI50 3311.31 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 3980.0 nM 10.1016/j.bmc.2007.05.065
None NON-PROTEIN TARGET GI50 6606.93 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 7585.78 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 7762.47 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 8317.64 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 10232.93 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 16218.1 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 32359.37 nM 10.1016/j.ejmech.2010.11.007
None NON-PROTEIN TARGET GI50 33113.11 nM 10.1016/j.bmcl.2010.10.004
None NON-PROTEIN TARGET GI50 50100.0 nM 10.1016/j.bmc.2007.05.065
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) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 8.0 % 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 500.0 nM 10.1021/jm010926x
None NON-PROTEIN TARGET IC50 2810.0 nM 10.1016/j.ejmech.2014.03.009
None NON-PROTEIN TARGET IC50 3200.0 nM 10.1016/j.bmcl.2010.01.098
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.bmc.2007.05.065
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.bmc.2008.03.060
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.bmc.2008.04.029
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.bmc.2009.04.021
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.bmcl.2009.09.069
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.ejmech.2007.06.017
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1016/j.ejmech.2008.03.015
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1021/acs.jmedchem.5b01706
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1021/jm0002580
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1021/jm010559p
None NON-PROTEIN TARGET IC50 3240.0 nM 10.1021/jm101595p
None NON-PROTEIN TARGET IC50 3480.0 nM 10.1016/j.bmc.2016.03.056
None NON-PROTEIN TARGET IC50 3500.0 nM 10.1016/j.bmcl.2010.11.083
None NON-PROTEIN TARGET IC50 3600.0 nM 10.1016/j.bmcl.2010.11.083
None NON-PROTEIN TARGET IC50 3900.0 nM 10.1021/jm049326z
None NON-PROTEIN TARGET IC50 4000.0 nM 10.1016/j.ejmech.2007.11.017
None NON-PROTEIN TARGET IC50 4000.0 nM 10.1039/C3MD00252G
None NON-PROTEIN TARGET IC50 5700.0 nM 10.1021/jm049326z
None NON-PROTEIN TARGET IC50 10490.0 nM 10.1016/j.ejmech.2007.11.017
None NON-PROTEIN TARGET IC50 16160.0 nM 10.1016/j.ejmech.2007.11.017
None NON-PROTEIN TARGET IC50 18260.0 nM 10.1016/j.ejmech.2016.04.068
None NON-PROTEIN TARGET IC50 19100.0 nM 10.1016/j.ejmech.2014.03.009
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1016/j.ejmech.2008.10.019
None NON-PROTEIN TARGET IC50 22100.0 nM 10.1016/j.ejmech.2007.05.005
None NON-PROTEIN TARGET IC50 24760.0 nM 10.1021/ml500141f
None NON-PROTEIN TARGET IC50 28200.0 nM 10.1016/j.ejmech.2014.03.009
None NON-PROTEIN TARGET IC50 36300.0 nM 10.1016/j.ejmech.2014.03.009
None NON-PROTEIN TARGET IC50 40590.0 nM 10.1016/j.ejmech.2016.04.068
None NON-PROTEIN TARGET IC50 43780.0 nM 10.1016/j.ejmech.2016.04.068
None NON-PROTEIN TARGET IC50 50000.0 nM 10.1016/j.ejmech.2009.11.041
None NON-PROTEIN TARGET IC50 50000.0 nM 10.1016/j.ejmech.2010.09.058
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1016/j.ejmech.2016.04.068
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmcl.2010.11.083
None NON-PROTEIN TARGET LC50 91201.08 nM 10.1016/j.bmcl.2010.10.004
None NON-PROTEIN TARGET Ratio 7.7 None 10.1021/jm00124a008
None NON-PROTEIN TARGET T/C 225.0 % 10.1016/s0960-894x(01)00260-8
None No relevant target LogD -0.52 None 10.1021/jm00169a014
None No relevant target LogD 0.11 None 10.1021/jm010926x
None No relevant target LogP -0.97 None 10.1016/j.ejmech.2022.114494
None No relevant target LogP 0.4 None 10.1016/j.ejmech.2009.12.043
None No relevant target solubility nan None 10.1021/acs.jnatprod.0c00946
None Nucleic Acid Activity 39.7 % 10.1016/j.bmc.2010.01.061
None Nucleic Acid Activity nan None 10.1016/j.bmc.2011.01.055
None Nucleic Acid Activity nan None 10.1021/ml300132t
None Nucleic Acid XL50 20.0 uM 10.1021/jm001064n
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 0.3981 uM None
None Unchecked Ac50 5.623 uM None
None Unchecked Ac50 19.95 uM None
None Unchecked Ac50 31.62 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 398.1 nM None
None Unchecked AC50 5623.4 nM None
None Unchecked AC50 19952.6 nM None
None Unchecked AC50 31630.0 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity 30.8 % 10.1016/j.bmc.2013.04.080
None Unchecked Activity 34.0 % 10.1016/j.bmc.2013.04.080
None Unchecked Activity 34.8 % 10.1016/j.bmc.2013.04.080
None Unchecked Activity nan None 10.1021/np960144k
None Unchecked Alkylating activity 10.3 10e3*k 10.1021/jm010926x
None Unchecked AP 2.02 None 10.1021/jm0002580
None Unchecked Apoptotic index 63.2 None 10.1021/jm0002580
None Unchecked CC50 37000.0 nM 10.1016/j.bmcl.2017.02.016
None Unchecked CC50 73000.0 nM 10.1016/j.bmcl.2017.02.016
None Unchecked CC50 92000.0 nM 10.1016/j.bmcl.2017.02.016
None Unchecked Cellular uptake 2.88 pM ul-1 10.1021/jm010926x
None Unchecked Control 85.3 % 10.1021/jm010926x
None Unchecked EC50 2000.0 nM 10.1021/acs.jnatprod.6b00967
None Unchecked Hepatotoxicity (acute) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 389.79 nM None
None Unchecked IC50 2102.0 nM None
None Unchecked IC50 2256.0 nM None
None Unchecked IC50 3240.0 nM 10.1016/j.bmcl.2017.02.016
None Unchecked IC50 3240.0 nM 10.1016/j.ejmech.2018.08.017
None Unchecked IC50 5360.33 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 76900.0 nM 10.1016/j.ejmech.2017.03.041
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Kd nan None 10.1021/jm040790d
None Unchecked Ki nan None None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 5802.4 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 10322.5 nM None
None Unchecked Potency 14581.0 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 36125.4 nM None
None Unchecked RI 1.18 None 10.1021/jm00051a009
None Unchecked RI 3.1 None 10.1021/jm00051a009
None Unchecked Selectivity Index 1.46 None 10.1016/j.bmcl.2017.02.016
None Unchecked Selectivity Index 5.61 None 10.1016/j.bmcl.2017.02.016
None Unchecked Selectivity Index 75.6 None 10.1016/j.bmcl.2017.02.016
None Unchecked SI 4.1 None 10.1021/jm000058o
None Unchecked SI 5.1 None 10.1021/jm000058o

Metabolism Information