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name Structure Reference Source Properties Activities Metabolism

Naloxone

AlkaPlorer ID: AK005238

Synonym: None

IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Structure

SMILES: C=CCN1CC[C@]23C4=C5C=CC(O)=C4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5

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InChI: InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1

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InChIKey: UZHSEJADLWPNLE-GRGSLBFTSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Papaver somniferum Papaver Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 327.3800000000001

TPSA？: 70.0

MolLogP？: 1.3014

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -13.0 % 10.6019/CHEMBL4296182
Bos taurus Mu opioid receptor Activity 70.0 None 10.1021/jm00037a008
Bos taurus Mu opioid receptor IC50 5.0 nM 10.1021/jm00170a038
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition -1.71 % 10.6019/CHEMBL4296182
Canis lupus familiaris Canis familiaris AUC 117.0 ng.hr.mL-1 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris AUC 122.0 ng.hr.mL-1 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris CL 42.5 mL.min-1.kg-1 10.1021/jm991030j
Canis lupus familiaris Canis familiaris Clearance 32.1 ul min-1 10.1021/jm991030j
Canis lupus familiaris Canis familiaris Cmax 131.35 nM 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris Cmax 598.69 nM 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris F 9.6 % 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris T1/2 0.38 hr 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris Canis familiaris T1/2 8.99 hr 10.1021/acs.jmedchem.7b01133
Canis lupus familiaris MDCK Ratio 0.7 None 10.1124/dmd.110.034629
Cavia porcellus Cavia porcellus IC50 nan nM 10.1021/jm00134a018
Cavia porcellus Kappa opioid receptor IC50 50.0 nM 10.1021/jm00091a005
Cavia porcellus Kappa opioid receptor IC50 50.0 nM 10.1021/jm00102a012
Cavia porcellus Kappa opioid receptor Kd 19.95 nM 10.1021/jm00041a003
Cavia porcellus Kappa opioid receptor Ke 16.0 nM 10.1021/jm00072a002
Cavia porcellus Kappa opioid receptor Ke 16.0 nM 10.1021/jm00397a001
Cavia porcellus Kappa opioid receptor Ki 3.1 nM 10.1039/C5MD00414D
Cavia porcellus Kappa opioid receptor Ki 3.17 nM 10.1016/j.ejmech.2007.02.005
Cavia porcellus Kappa opioid receptor Ki 3.2 nM 10.1021/jm0108395
Cavia porcellus Kappa opioid receptor Ki 6.9 nM 10.1016/j.bmc.2014.04.054
Cavia porcellus Kappa opioid receptor Ki 6.9 nM 10.1016/j.bmcl.2015.09.040
Cavia porcellus Kappa opioid receptor Ki 6.9 nM 10.1021/acs.jmedchem.9b00449
Cavia porcellus Kappa opioid receptor Ki 6.9 nM 10.1039/C6MD00441E
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1016/j.ejmech.2011.01.064
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1016/j.ejmech.2021.114079
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1021/acs.jmedchem.6b01868
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1021/acs.jmedchem.8b01609
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1021/jm100182p
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1021/jm500940q
Cavia porcellus Kappa opioid receptor Ki 12.0 nM 10.1021/jm00045a017
Cavia porcellus Kappa opioid receptor Ki 15.0 nM 10.1021/jm500940q
Cavia porcellus Kappa opioid receptor Ki 66.0 nM 10.1021/jm00041a003
Cavia porcellus Kappa opioid receptor Ki 66.0 nM 10.1021/jm00072a001
Cavia porcellus Kappa opioid receptor Ki 66.0 nM 10.1021/jm00072a002
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Mu opioid receptor IC50 8.9 nM 10.1021/jm00091a005
Cavia porcellus Mu opioid receptor IC50 8.9 nM 10.1021/jm00102a012
Cavia porcellus Mu opioid receptor Kd 1.862 nM 10.1016/s0960-894x(00)00569-2
Cavia porcellus Mu opioid receptor Kd 3.162 nM 10.1021/jm00041a003
Cavia porcellus Mu opioid receptor Ke 1.38 nM 10.1021/jm00020a013
Cavia porcellus Mu opioid receptor Ke 1.45 nM 10.1021/jm00020a013
Cavia porcellus Mu opioid receptor Ke 2.2 nM 10.1021/jm00072a002
Cavia porcellus Mu opioid receptor Ke 2.2 nM 10.1021/jm00397a001
Cavia porcellus Mu opioid receptor Ki 0.68 nM 10.1016/j.ejmech.2007.02.005
Cavia porcellus Mu opioid receptor Ki 0.68 nM 10.1021/jm0108395
Cavia porcellus Mu opioid receptor Ki 1.1 nM 10.1021/jm00045a017
Cavia porcellus Mu opioid receptor Ki 2.1 nM 10.1016/j.bmcl.2015.09.040
Cavia porcellus Mu opioid receptor Ki 2.1 nM 10.1021/acs.jmedchem.9b00449
Cavia porcellus Mu opioid receptor Ki 2.1 nM 10.1039/C6MD00441E
Cavia porcellus Mu opioid receptor Ki 2.3 nM 10.1016/j.ejmech.2021.114079
Cavia porcellus Mu opioid receptor Ki 2.3 nM 10.1021/acs.jmedchem.6b01868
Cavia porcellus Mu opioid receptor Ki 2.3 nM 10.1021/acs.jmedchem.8b01609
Cavia porcellus Mu opioid receptor Ki nan None 10.1016/j.ejmech.2011.01.064
Cavia porcellus Mu opioid receptor % recovery 0.0 None 10.1021/jm00091a005
Cavia porcellus Mu opioid receptor % recovery 100.0 None 10.1021/jm00091a005
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Cavia porcellus Sigma-1 receptor Ki nan None 10.1016/j.ejmech.2011.01.064
Chikungunya virus Chikungunya virus Activity 121.5 % 10.1016/j.bmc.2023.117239
Cryptococcus neoformans Cryptococcus neoformans Inhibition -7.31 % 10.6019/CHEMBL4296182
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
Escherichia coli Escherichia coli Inhibition 1.67 % 10.6019/CHEMBL4296182
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 50000.0 nM 10.1016/j.bmcl.2009.09.112
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 IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde oxidase Fm 0.07 None 10.1124/dmd.112.045195
Homo sapiens Aldehyde oxidase Fm nan None 10.1124/dmd.112.045195
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 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 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 Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 549000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Caco-2 logPapp -4.57 None 10.1016/j.bmc.2011.03.011
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 Activity nan None 10.1021/np200147c
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Inhibition nan % 10.1021/np300653d
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Cannabinoid CB2 receptor Activity nan None 10.1021/np200147c
Homo sapiens Cannabinoid CB2 receptor Inhibition nan % 10.1021/np300653d
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 Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
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 2000.0 nM 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 2J2 IC50 50000.0 nM 10.1124/dmd.112.048264
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor Activity 62.0 None 10.1021/jm00037a008
Homo sapiens Delta opioid receptor Activity 80.0 % 10.1021/np50094a001
Homo sapiens Delta opioid receptor Activity 103.3 % 10.1016/j.bmc.2009.07.007
Homo sapiens Delta opioid receptor Activity 106.4 % 10.1021/acs.jnatprod.5b00218
Homo sapiens Delta opioid receptor Activity 106.4 % 10.1021/np200147c
Homo sapiens Delta opioid receptor IC50 62.0 nM 10.1021/jm00091a005
Homo sapiens Delta opioid receptor IC50 62.0 nM 10.1021/jm00102a012
Homo sapiens Delta opioid receptor IC50 78.2 nM 10.1021/acs.jmedchem.9b01963
Homo sapiens Delta opioid receptor IC50 138.0 nM 10.1021/np060179c
Homo sapiens Delta opioid receptor IC50 138.0 nM 10.1021/np060577f
Homo sapiens Delta opioid receptor IC50 138.0 nM 10.1021/np060607e
Homo sapiens Delta opioid receptor IC50 138.0 nM 10.1021/np070516x
Homo sapiens Delta opioid receptor IC50 146.0 nM 10.1021/acsmedchemlett.8b00495
Homo sapiens Delta opioid receptor IC50 151.0 nM 10.1021/jm010877o
Homo sapiens Delta opioid receptor IC50 153.0 nM 10.1021/acs.jmedchem.0c00503
Homo sapiens Delta opioid receptor IC50 1461.0 nM None
Homo sapiens Delta opioid receptor Inhibition 83.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Delta opioid receptor Inhibition 93.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Delta opioid receptor Inhibition 103.4 % 10.1021/np300653d
Homo sapiens Delta opioid receptor Inhibition nan % 10.1016/j.bmc.2014.02.015
Homo sapiens Delta opioid receptor Inhibition nan % 10.1021/acs.jmedchem.7b00643
Homo sapiens Delta opioid receptor Ke 35.0 nM 10.1021/jm901503e
Homo sapiens Delta opioid receptor Ki 15.85 nM 10.1021/acs.jnatprod.0c00793
Homo sapiens Delta opioid receptor Ki 19.0 nM 10.1021/jm00045a017
Homo sapiens Delta opioid receptor Ki 21.38 nM 10.1016/j.bmc.2009.05.068
Homo sapiens Delta opioid receptor Ki 30.0 nM 10.1021/acs.jnatprod.5b00218
Homo sapiens Delta opioid receptor Ki 33.0 nM 10.1016/j.bmcl.2003.09.012
Homo sapiens Delta opioid receptor Ki 33.0 nM 10.1016/j.bmcl.2008.01.106
Homo sapiens Delta opioid receptor Ki 33.0 nM 10.1021/jm060486f
Homo sapiens Delta opioid receptor Ki 33.0 nM 10.1021/jm0604878
Homo sapiens Delta opioid receptor Ki 37.0 nM 10.1021/jm020125+
Homo sapiens Delta opioid receptor Ki 38.0 nM 10.1016/j.bmc.2011.03.052
Homo sapiens Delta opioid receptor Ki 41.0 nM 10.1016/s0960-894x(00)00034-2
Homo sapiens Delta opioid receptor Ki 42.6 nM 10.1021/np50094a001
Homo sapiens Delta opioid receptor Ki 51.0 nM 10.1021/jm901503e
Homo sapiens Delta opioid receptor Ki 70.0 nM 10.1021/acsmedchemlett.8b00495
Homo sapiens Delta opioid receptor Ki 72.8 nM 10.1021/acs.jmedchem.9b01963
Homo sapiens Delta opioid receptor Ki 76.0 nM 10.1021/jm061327z
Homo sapiens Delta opioid receptor Ki 98.1 nM 10.1021/acs.jmedchem.0c00503
Homo sapiens Delta opioid receptor Ki 103.0 nM 10.1021/jm500940q
Homo sapiens Delta opioid receptor Ki 103.0 nM 10.1039/C5MD00414D
Homo sapiens Delta opioid receptor Ki 120.0 nM 10.1016/j.bmcl.2008.10.134
Homo sapiens Delta opioid receptor Ki 120.0 nM 10.1021/acsmedchemlett.9b00569
Homo sapiens Delta opioid receptor Ki 515.0 nM None
Homo sapiens Delta opioid receptor Ki 1516.0 nM 10.1021/jm500989n
Homo sapiens Delta opioid receptor Ki nan None 10.1021/acs.jmedchem.1c00256
Homo sapiens Delta opioid receptor pKb 7.32 None 10.1016/j.bmc.2009.05.068
Homo sapiens Delta opioid receptor % recovery 0.0 None 10.1021/jm00091a005
Homo sapiens Delta opioid receptor % recovery 100.0 None 10.1021/jm00091a005
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 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 IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Estrogen receptor alpha 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 Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Hepatocyte CL 19.5 mL.min-1.kg-1 10.1016/j.ejmech.2008.07.027
Homo sapiens Hepatocyte logCL 1.29 None 10.1016/j.ejmech.2008.07.027
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 HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 0.91 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 0.0 mL.min-1.kg-1 10.1124/dmd.111.043984
Homo sapiens Homo sapiens CL 21.7 mL.min-1.kg-1 10.1124/dmd.111.043984
Homo sapiens Homo sapiens CL 23.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 25.0 mL.min-1.kg-1 10.1021/jm991030j
Homo sapiens Homo sapiens Clearance 16.7 ul min-1 10.1021/jm991030j
Homo sapiens Homo sapiens CL_renal 0.0 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 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 2.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens Fabs 91.0 % 10.1124/dmd.110.034629
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 Kappa opioid receptor Activity 51.0 None 10.1021/jm00037a008
Homo sapiens Kappa opioid receptor Activity 101.6 % 10.1021/acs.jnatprod.5b00218
Homo sapiens Kappa opioid receptor Activity 101.6 % 10.1021/np200147c
Homo sapiens Kappa opioid receptor Activity nan None 10.1016/j.bmcl.2015.09.040
Homo sapiens Kappa opioid receptor EC50 6.6 nM 10.1021/jm020125+
Homo sapiens Kappa opioid receptor EC50 10.0 nM 10.1021/jm061327z
Homo sapiens Kappa opioid receptor EC50 nan None 10.1016/j.bmcl.2015.09.040
Homo sapiens Kappa opioid receptor ED50 nan None 10.1016/j.ejmech.2015.01.025
Homo sapiens Kappa opioid receptor Emax 25.0 % 10.1021/jm061327z
Homo sapiens Kappa opioid receptor Emax nan None 10.1016/j.ejmech.2015.01.025
Homo sapiens Kappa opioid receptor IC50 1.5 nM 10.1021/jm010877o
Homo sapiens Kappa opioid receptor IC50 49.8 nM 10.1021/jm020125+
Homo sapiens Kappa opioid receptor IC50 75.0 nM None
Homo sapiens Kappa opioid receptor IC50 140.0 nM 10.1021/acs.jmedchem.6b01411
Homo sapiens Kappa opioid receptor IC50 320.0 nM 10.1021/jm061327z
Homo sapiens Kappa opioid receptor Imax 55.0 % 10.1021/jm061327z
Homo sapiens Kappa opioid receptor Inhibition 81.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Kappa opioid receptor Inhibition 95.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Kappa opioid receptor Inhibition 105.6 % 10.1021/np300653d
Homo sapiens Kappa opioid receptor Inhibition nan % 10.1021/acs.jmedchem.7b00643
Homo sapiens Kappa opioid receptor Ke 10.0 nM 10.1021/jm901503e
Homo sapiens Kappa opioid receptor Ke 11.0 nM 10.1016/j.bmc.2011.04.028
Homo sapiens Kappa opioid receptor Ki 0.25 nM 10.1016/j.bmc.2011.03.052
Homo sapiens Kappa opioid receptor Ki 1.1 nM 10.1021/jm061327z
Homo sapiens Kappa opioid receptor Ki 1.2 nM 10.1016/j.bmcl.2008.10.134
Homo sapiens Kappa opioid receptor Ki 1.2 nM 10.1016/s0960-894x(00)00034-2
Homo sapiens Kappa opioid receptor Ki 3.0 nM 10.1021/jm901503e
Homo sapiens Kappa opioid receptor Ki 4.467 nM 10.1016/j.bmc.2009.05.068
Homo sapiens Kappa opioid receptor Ki 9.2 nM 10.1016/j.bmcl.2003.09.012
Homo sapiens Kappa opioid receptor Ki 9.2 nM 10.1016/j.bmcl.2008.01.106
Homo sapiens Kappa opioid receptor Ki 9.2 nM 10.1021/jm060486f
Homo sapiens Kappa opioid receptor Ki 9.2 nM 10.1021/jm0604878
Homo sapiens Kappa opioid receptor Ki 10.7 nM 10.1021/jm020125+
Homo sapiens Kappa opioid receptor Ki 14.7 nM 10.1021/jm100182p
Homo sapiens Kappa opioid receptor Ki 15.0 nM 10.1039/C5MD00414D
Homo sapiens Kappa opioid receptor Ki 15.85 nM 10.1021/acs.jnatprod.0c00793
Homo sapiens Kappa opioid receptor Ki 30.0 nM None
Homo sapiens Kappa opioid receptor Ki 362.0 nM 10.1021/jm500989n
Homo sapiens Kappa opioid receptor Max inhibition 98.0 % 10.1021/jm020125+
Homo sapiens Kappa opioid receptor Max stimulation 30.0 % 10.1021/jm020125+
Homo sapiens Kappa opioid receptor pKb 7.14 None 10.1016/j.bmc.2009.05.068
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 Liver microsome CL 10.0 mL.min-1.g-1 10.1124/dmd.111.043984
Homo sapiens Liver microsome CL 14.1 mL.min-1.kg-1 10.1124/dmd.111.043984
Homo sapiens Liver microsome CL 19.3 mL.min-1.kg-1 10.1124/dmd.111.043984
Homo sapiens Liver microsome CL 55.6 mL.min-1.g-1 10.1124/dmd.111.043984
Homo sapiens Liver microsome Drug metabolism 0.65 ml/min.kg 10.1124/dmd.111.043984
Homo sapiens Liver microsome Drug metabolism 0.89 ml/min.kg 10.1124/dmd.111.043984
Homo sapiens Liver microsome Fu 0.96 None 10.1124/dmd.111.043984
Homo sapiens Liver microsome Fu 1.0 None 10.1124/dmd.111.043984
Homo sapiens Liver microsome Ratio 28.0 None 10.1124/dmd.111.043984
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 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 Metastin receptor Ki nan None 10.1021/acs.jmedchem.1c00256
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor Activity 0.1 % 10.1016/j.bmcl.2008.01.009
Homo sapiens Mu opioid receptor Activity 0.1 % 10.1021/jm060998u
Homo sapiens Mu opioid receptor Activity 50.0 % 10.1016/j.bmcl.2009.09.112
Homo sapiens Mu opioid receptor Activity 90.0 % 10.1021/np50094a001
Homo sapiens Mu opioid receptor Activity 97.0 % 10.1021/acs.jnatprod.5b00218
Homo sapiens Mu opioid receptor Activity 97.0 % 10.1021/np200147c
Homo sapiens Mu opioid receptor Activity nan None 10.1074/jbc.m703272200
Homo sapiens Mu opioid receptor Emax 13.0 % 10.1021/jm061327z
Homo sapiens Mu opioid receptor IC50 1.87 nM 10.1021/jm400904m
Homo sapiens Mu opioid receptor IC50 2.0 nM 10.1021/jm010877o
Homo sapiens Mu opioid receptor IC50 7.3 nM 10.1016/j.bmcl.2003.09.012
Homo sapiens Mu opioid receptor IC50 7.3 nM 10.1016/j.bmcl.2008.01.106
Homo sapiens Mu opioid receptor IC50 7.3 nM 10.1021/jm060486f
Homo sapiens Mu opioid receptor IC50 7.3 nM 10.1021/jm0604878
Homo sapiens Mu opioid receptor IC50 20.0 nM None
Homo sapiens Mu opioid receptor IC50 23.0 nM 10.1021/jm061327z
Homo sapiens Mu opioid receptor IC50 27.0 nM 10.1039/d1md00285f
Homo sapiens Mu opioid receptor IC50 45.0 nM 10.1021/acs.jmedchem.7b00643
Homo sapiens Mu opioid receptor IC50 94.84 nM 10.1021/acs.jmedchem.7b00643
Homo sapiens Mu opioid receptor IC50 302.0 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Mu opioid receptor Imax 92.0 % 10.1021/jm061327z
Homo sapiens Mu opioid receptor Inhibition 50.0 % 10.1021/acs.jmedchem.7b00643
Homo sapiens Mu opioid receptor Inhibition 92.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Mu opioid receptor Inhibition 94.0 % 10.1016/j.ejmech.2018.02.074
Homo sapiens Mu opioid receptor Inhibition 100.1 % 10.1021/np300653d
Homo sapiens Mu opioid receptor Kd 0.2188 nM 10.1016/j.bmcl.2008.01.009
Homo sapiens Mu opioid receptor Kd 0.2188 nM 10.1021/jm060998u
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1016/j.bmc.2011.04.028
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1016/j.bmc.2011.05.035
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1016/j.bmc.2013.02.060
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1016/j.ejmech.2012.01.025
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1016/j.ejmech.2015.01.025
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1021/jm061325e
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1021/jm1011676
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1021/jm800913d
Homo sapiens Mu opioid receptor Ke 2.3 nM 10.1021/jm901503e
Homo sapiens Mu opioid receptor Ki 0.23 nM 10.1016/j.bmc.2011.03.052
Homo sapiens Mu opioid receptor Ki 0.5623 nM 10.1016/j.bmc.2009.05.068
Homo sapiens Mu opioid receptor Ki 0.57 nM 10.1016/j.bmcl.2011.05.008
Homo sapiens Mu opioid receptor Ki 0.66 nM 10.1016/j.bmcl.2008.10.134
Homo sapiens Mu opioid receptor Ki 0.79 nM 10.1021/jm061327z
Homo sapiens Mu opioid receptor Ki 0.98 nM 10.1021/jm901503e
Homo sapiens Mu opioid receptor Ki 1.0 nM 10.1021/acs.jnatprod.0c00793
Homo sapiens Mu opioid receptor Ki 1.148 nM 10.1021/acs.jmedchem.5b01664
Homo sapiens Mu opioid receptor Ki 1.259 nM 10.1021/acs.jmedchem.5b01664
Homo sapiens Mu opioid receptor Ki 1.5 nM 10.1016/j.bmcl.2009.09.112
Homo sapiens Mu opioid receptor Ki 1.6 nM 10.1021/np50094a001
Homo sapiens Mu opioid receptor Ki 2.27 nM 10.1016/j.bmcl.2011.05.008
Homo sapiens Mu opioid receptor Ki 2.3 nM 10.1021/jm500940q
Homo sapiens Mu opioid receptor Ki 2.3 nM 10.1039/C5MD00414D
Homo sapiens Mu opioid receptor Ki 3.63 nM 10.1021/jm020125+
Homo sapiens Mu opioid receptor Ki 3.7 nM 10.1016/j.bmcl.2003.09.012
Homo sapiens Mu opioid receptor Ki 3.7 nM 10.1016/j.bmcl.2008.01.106
Homo sapiens Mu opioid receptor Ki 3.7 nM 10.1021/jm060486f
Homo sapiens Mu opioid receptor Ki 3.7 nM 10.1021/jm0604878
Homo sapiens Mu opioid receptor Ki 4.23 nM 10.1016/j.bmcl.2011.05.008
Homo sapiens Mu opioid receptor Ki 8.063 nM None
Homo sapiens Mu opioid receptor Ki 43.0 nM 10.1021/acsmedchemlett.9b00569
Homo sapiens Mu opioid receptor Ki 51.0 nM 10.1021/acs.jmedchem.9b01963
Homo sapiens Mu opioid receptor Ki 51.2 nM 10.1021/acsmedchemlett.8b00495
Homo sapiens Mu opioid receptor Ki 59.5 nM 10.1021/acs.jmedchem.0c00503
Homo sapiens Mu opioid receptor Ki 354.0 nM 10.1021/jm500989n
Homo sapiens Mu opioid receptor pKb 9.09 None 10.1016/j.bmc.2009.05.068
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 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 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 Nociceptin receptor Ki nan None 10.1021/acs.jmedchem.1c00256
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Opioid receptors; delta & kappa Ratio Ki 69.0 None 10.1021/jm061327z
Homo sapiens Opioid receptors; delta & kappa Selectivity 0.4 None 10.1021/jm00397a001
Homo sapiens Opioid receptors; mu & delta Selectivity 0.06 None 10.1021/jm00397a001
Homo sapiens Opioid receptors; mu & delta Selectivity ratio 7.0 None 10.1021/jm00016a010
Homo sapiens Opioid receptors; mu & delta Selectivity ratio 7.0 None 10.1021/jm00166a018
Homo sapiens Opioid receptors; mu & kappa IC50 9.0 nM 10.1021/jm00122a021
Homo sapiens Opioid receptors; mu & kappa IC50 127.0 nM 10.1021/jm00122a021
Homo sapiens Opioid receptors; mu & kappa Ke 1.22 nM 10.1021/jm00134a018
Homo sapiens Opioid receptors; mu & kappa Ratio Ki 1.0 None 10.1021/jm061327z
Homo sapiens Opioid receptors; mu & kappa Selectivity ratio 12.0 None 10.1021/jm00016a010
Homo sapiens Opioid receptors; mu & kappa Selectivity ratio 12.0 None 10.1021/jm00166a018
Homo sapiens Opioid receptors; mu/kappa/delta Activity nan None 10.1021/jm00218a006
Homo sapiens Opioid receptors; mu/kappa/delta Control 0.0 % 10.1021/jm00164a043
Homo sapiens Opioid receptors; mu/kappa/delta Control 72.0 % 10.1021/jm00180a028
Homo sapiens Opioid receptors; mu/kappa/delta Control 89.0 % 10.1021/jm00180a028
Homo sapiens Opioid receptors; mu/kappa/delta Control 98.0 % 10.1021/jm00164a043
Homo sapiens Opioid receptors; mu/kappa/delta IC50 1.6 nM 10.1021/jm058018d
Homo sapiens Opioid receptors; mu/kappa/delta IC50 5.5 nM 10.1021/jm00218a006
Homo sapiens Opioid receptors; mu/kappa/delta IC50 43.0 nM 10.1021/jm00091a005
Homo sapiens Opioid receptors; mu/kappa/delta IC50 43.0 nM 10.1021/jm00102a012
Homo sapiens Opioid receptors; mu/kappa/delta Inhibition nan % 10.1021/jm00218a006
Homo sapiens Opioid receptors; mu/kappa/delta Ki ratio nan None 10.1021/jm020125+
Homo sapiens Opioid receptors; mu/kappa/delta Ratio 1.0 None 10.1021/jm00122a021
Homo sapiens Opioid receptors; mu/kappa/delta % recovery 0.0 None 10.1021/jm00091a005
Homo sapiens Opioid receptors; mu/kappa/delta % recovery 100.0 None 10.1021/jm00091a005
Homo sapiens Opioid receptors; mu/kappa/delta Recovery 0.0 % 10.1021/jm00112a019
Homo sapiens Opioid receptors; mu/kappa/delta Recovery 100.0 % 10.1021/jm00112a019
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
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 Prolactin-releasing peptide Ki nan None 10.1021/acs.jmedchem.1c00256
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Pyroglutamylated RFamide peptide receptor Ki nan None 10.1021/acs.jmedchem.1c00256
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 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 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 IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 100000.0 nM 10.1021/jm00103a005
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki 100000.0 nM 10.1021/jm00045a017
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Solute carrier organic anion transporter family member 1A2 Activity nan None None
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-3 Activity 14.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-8 Activity 81.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-8 Km 450000.0 nM 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-8 Vmax 121.0 pmol/min/mg protein 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-9 CL 0.292 mL.min-1.g-1 10.1124/dmd.111.043984
Homo sapiens UDP-glucuronosyltransferase 1A4 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B15 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 131.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 2908.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 3400.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 3462.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens 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 Whole blood Retention_time 2.46 min 10.1007/s00044-012-9977-1
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 11.13 % 10.6019/CHEMBL4296182
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
Macaca mulatta Rhesus monkey Activity nan None 10.1021/jm00221a004
Mus musculus C-C chemokine receptor type 5 Kd 10.5 nM 10.1073/pnas.0700295104
Mus musculus C-C chemokine receptor type 5 Kd 20.8 nM 10.1073/pnas.0700295104
Mus musculus Delta opioid receptor Activity 101.0 % 10.1016/j.bmc.2009.07.007
Mus musculus Delta opioid receptor Kd 44.67 nM 10.1016/j.bmc.2007.10.030
Mus musculus Delta opioid receptor Kd 50.12 nM 10.1021/jm00041a003
Mus musculus Delta opioid receptor Ke 0.308 nM 10.1016/j.bmcl.2013.07.036
Mus musculus Delta opioid receptor Ke 9.6 nM 10.1021/jm00016a010
Mus musculus Delta opioid receptor Ke 9.6 nM 10.1021/jm00122a021
Mus musculus Delta opioid receptor Ke 9.6 nM 10.1021/jm00166a018
Mus musculus Delta opioid receptor Ke 40.0 nM 10.1021/jm00072a002
Mus musculus Delta opioid receptor Ke 40.0 nM 10.1021/jm00397a001
Mus musculus Kappa opioid receptor AD50 1.1 mg kg-1 10.1021/jm00072a001
Mus musculus Kappa opioid receptor AD50 1.1 mg kg-1 10.1021/jm00072a002
Mus musculus Kappa opioid receptor Kd 125.89 nM 10.1016/j.bmc.2007.10.030
Mus musculus Kappa opioid receptor Ke 15.9 nM 10.1021/jm00016a010
Mus musculus Kappa opioid receptor Ke 15.9 nM 10.1021/jm00122a021
Mus musculus Kappa opioid receptor Ke 15.9 nM 10.1021/jm00166a018
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mu opioid receptor AD50 0.08 mg kg-1 10.1021/jm00072a001
Mus musculus Mu opioid receptor AD50 0.08 mg kg-1 10.1021/jm00072a002
Mus musculus Mu opioid receptor IC50 15.37 nM 10.1021/acs.jmedchem.9b01767
Mus musculus Mu opioid receptor Kd 10.23 nM 10.1016/j.bmc.2007.10.030
Mus musculus Mu opioid receptor Ke 1.4 nM 10.1021/jm00016a010
Mus musculus Mu opioid receptor Ke 1.4 nM 10.1021/jm00122a021
Mus musculus Mu opioid receptor Ke 1.4 nM 10.1021/jm00166a018
Mus musculus Mus musculus Activity 0.03 None 10.1021/jm00161a023
Mus musculus Mus musculus Activity 0.04 mg kg-1 10.1016/s0960-894x(00)00479-0
Mus musculus Mus musculus Activity 0.05 mg kg-1 10.1021/jm4012214
Mus musculus Mus musculus Activity 0.05 mg kg-1 10.1021/jm801272c
Mus musculus Mus musculus Activity 15.1 s 10.1016/j.bmc.2007.01.022
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2007.10.030
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2019.01.003
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2019.01.063
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.8b01158
Mus musculus Mus musculus Activity nan None 10.1021/jm00161a023
Mus musculus Mus musculus Activity nan None 10.1021/jm4012214
Mus musculus Mus musculus Activity nan None 10.1073/pnas.0700295104
Mus musculus Mus musculus Activity nan None 10.1074/jbc.m705540200
Mus musculus Mus musculus AD50 0.08 mg kg-1 10.1021/jm00041a003
Mus musculus Mus musculus AD50 0.1 None 10.1016/s0960-894x(00)00479-0
Mus musculus Mus musculus AD50 2.38 ng 10.1016/j.bmc.2006.11.019
Mus musculus Mus musculus Analgesia 32.0 % 10.1021/jm00180a028
Mus musculus Mus musculus Analgesia 54.0 % 10.1021/jm00180a019
Mus musculus Mus musculus Concentration 0.51 ng ml-1 10.1021/jm00344a005
Mus musculus Mus musculus Concentration 10.05 ng ml-1 10.1021/jm00344a005
Mus musculus Mus musculus ED50 0.014 nmol 10.1073/pnas.0700295104
Mus musculus Mus musculus ED50 0.02 mg.kg-1 10.1021/jm00045a017
Mus musculus Mus musculus ED50 0.03 mg.kg-1 10.1016/j.bmc.2007.10.030
Mus musculus Mus musculus ED50 0.03 nmol 10.1073/pnas.0700295104
Mus musculus Mus musculus ED50 0.044 mg.kg-1 10.1021/jm00122a021
Mus musculus Mus musculus ED50 0.045 nmol 10.1073/pnas.0700295104
Mus musculus Mus musculus ED50 0.05 mg.kg-1 10.1021/jm00041a003
Mus musculus Mus musculus ED50 0.06 mg.kg-1 10.1021/jm00378a034
Mus musculus Mus musculus ED50 0.08 umol.kg-1 10.1021/jm00134a020
Mus musculus Mus musculus ED50 0.09 mg.kg-1 10.1021/jm00180a028
Mus musculus Mus musculus ED50 0.14 mg.kg-1 10.1021/jm00199a018
Mus musculus Mus musculus ED50 1.5 mg.kg-1 10.1021/jm00041a003
Mus musculus Mus musculus ED50 2.83 umol.kg-1 10.1073/pnas.0700295104
Mus musculus Mus musculus ED50 2.9 mg.kg-1 10.1021/jm00122a021
Mus musculus Mus musculus ED50 60.0 mg.kg-1 10.1021/jm00196a002
Mus musculus Mus musculus ED50 60.0 mg.kg-1 10.1021/jm00210a013
Mus musculus Mus musculus ED50 100.0 mg.kg-1 10.1021/jm00045a017
Mus musculus Mus musculus ED50 100.0 mg.kg-1 10.1021/jm00199a018
Mus musculus Mus musculus ED50 103.0 mg.kg-1 10.1021/jm00210a013
Mus musculus Mus musculus ED50 nan mg.kg-1 10.1021/jm00180a028
Mus musculus Mus musculus ED50 nan umol.kg-1 10.1021/jm00144a029
Mus musculus Mus musculus ED50 nan umol.kg-1 10.1021/jm00176a013
Mus musculus Mus musculus ED50 nan umol.kg-1 10.1021/jm00186a025
Mus musculus Mus musculus IC50 nan nM 10.1021/jm00134a018
Mus musculus Mus musculus Inhibition nan % 10.1016/j.bmcl.2011.07.065
Mus musculus Mus musculus Inhibition nan % 10.1016/j.ejmech.2016.12.052
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jmedchem.9b01767
Mus musculus Mus musculus Kd 2.951 nM 10.1021/jm00139a004
Mus musculus Mus musculus Ke 3.66 nM 10.1021/jm00134a018
Mus musculus Mus musculus MPE 0.22 % 10.1016/j.bmcl.2008.01.009
Mus musculus Mus musculus MPE 0.34 % 10.1016/j.bmcl.2008.01.009
Mus musculus Mus musculus MPE 2.19 % 10.1016/j.bmcl.2008.01.009
Mus musculus Mus musculus Reduction 83.0 % 10.1021/jm00122a021
Mus musculus Mus musculus Reduction 87.0 % 10.1021/jm00122a021
Mus musculus Mus musculus Reversal type 2.0 None 10.1021/jm00123a028
Mus musculus Mus musculus Writhing number 31.2 None 10.1021/jm00355a013
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Opioid receptor Control 15.0 % 10.1021/jm00378a032
Mus musculus Opioid receptor Control 25.0 % 10.1021/jm00378a032
Mus musculus Opioid receptor Control 105.0 % 10.1021/jm00378a032
Mus musculus Opioid receptor Control 108.0 % 10.1021/jm00378a032
Mus musculus Opioid receptor IC50 500000.0 nM 10.1021/jm00125a021
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
Oryctolagus cuniculus Oryctolagus cuniculus Rate change 7.3 % 10.1021/jm00122a021
Oryctolagus cuniculus Oryctolagus cuniculus Reversal 0.0 % 10.1021/jm00123a028
Oryctolagus cuniculus Oryctolagus cuniculus Reversal 30.0 % 10.1021/jm00123a028
Oryctolagus cuniculus Oryctolagus cuniculus Reversal 50.0 % 10.1021/jm00123a028
Oryctolagus cuniculus Oryctolagus cuniculus Reversal 100.0 % 10.1021/jm00123a028
Oryctolagus cuniculus Oryctolagus cuniculus Volume change 23.0 % 10.1021/jm00122a021
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 6.26 % 10.6019/CHEMBL4296182
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 Cannabinoid receptor Activity nan None 10.1016/j.ejmech.2019.05.037
Rattus norvegicus Delta opioid receptor Activity 23.0 % 10.1016/j.bmc.2009.07.024
Rattus norvegicus Delta opioid receptor Kd 18.0 nM 10.1021/jm00154a018
Rattus norvegicus Delta opioid receptor Ki 2.4 nM 10.1021/acs.jmedchem.9b00449
Rattus norvegicus Delta opioid receptor Ki 2.4 nM 10.1039/C6MD00441E
Rattus norvegicus Delta opioid receptor Ki 2.5 nM 10.1016/j.bmcl.2015.09.040
Rattus norvegicus Delta opioid receptor Ki 32.0 nM 10.1021/jm00072a002
Rattus norvegicus Delta opioid receptor Ki 103.0 nM 10.1016/j.ejmech.2021.114079
Rattus norvegicus Delta opioid receptor Ki 103.0 nM 10.1021/acs.jmedchem.8b01609
Rattus norvegicus Delta opioid receptor Ki nan None 10.1016/j.ejmech.2011.01.064
Rattus norvegicus Dopamine D3 receptor Ki 20000.0 nM 10.1021/jm00062a025
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 Kappa opioid receptor AD50 3.5 mg kg-1 10.1021/jm00072a001
Rattus norvegicus Kappa opioid receptor AD50 3.5 mg kg-1 10.1021/jm00072a002
Rattus norvegicus Kappa opioid receptor Kd 1.0 nM 10.1021/jm00154a018
Rattus norvegicus Kappa opioid receptor Kd 4.5 nM 10.1016/s0960-894x(00)00111-6
Rattus norvegicus Mu opioid receptor Control 105.0 % 10.1021/jm00171a020
Rattus norvegicus Mu opioid receptor Control 111.0 % 10.1021/jm00171a020
Rattus norvegicus Mu opioid receptor Emax 98.0 % 10.1016/j.ejmech.2019.05.037
Rattus norvegicus Mu opioid receptor Emax 99.0 % 10.1016/j.ejmech.2019.05.037
Rattus norvegicus Mu opioid receptor Kd 0.4 nM 10.1021/jm00154a018
Rattus norvegicus Mu opioid receptor Kd 3.0 nM 10.1016/s0960-894x(00)00111-6
Rattus norvegicus Mu opioid receptor Kd 5.0 nM 10.1021/jm00154a018
Rattus norvegicus Mu opioid receptor Ki 1.07 nM 10.1021/jm00123a028
Rattus norvegicus Mu opioid receptor Ki 1.4 nM 10.1016/s0960-894x(00)00034-2
Rattus norvegicus Mu opioid receptor Ki 2.0 nM 10.1016/j.bmc.2014.07.012
Rattus norvegicus Mu opioid receptor Ki 3.7 nM 10.1021/jm00041a003
Rattus norvegicus Mu opioid receptor Ki 3.7 nM 10.1021/jm00072a001
Rattus norvegicus Mu opioid receptor Ki 6.3 nM 10.1021/jm00072a002
Rattus norvegicus Mu opioid receptor Kp 20.7 None 10.1021/jm00398a007
Rattus norvegicus Mu opioid receptor Kp 980000000.0 None 10.1021/jm00150a017
Rattus norvegicus Mu opioid receptor Kt 260000000.0 None 10.1021/jm00150a017
Rattus norvegicus Mu opioid receptor KT 19.4 None 10.1021/jm00398a007
Rattus norvegicus Mu opioid receptor ln Kp 20.7 None 10.1021/jm00150a017
Rattus norvegicus Mu opioid receptor ln Kt 19.4 None 10.1021/jm00150a017
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Opioid receptor EC50 1.5 nM 10.1021/jm00199a018
Rattus norvegicus Opioid receptor ED50 0.11 umol.kg-1 10.1021/jm00144a029
Rattus norvegicus Opioid receptor IC50 0.004 nM 10.1021/jm00378a009
Rattus norvegicus Opioid receptor IC50 0.009 nM 10.1021/jm00378a009
Rattus norvegicus Opioid receptor IC50 1.4 nM 10.1021/jm00355a010
Rattus norvegicus Opioid receptor IC50 2.0 nM 10.1021/jm00122a021
Rattus norvegicus Opioid receptor IC50 3.0 None 10.1021/jm00154a018
Rattus norvegicus Opioid receptor IC50 3.2 None 10.1021/jm00154a018
Rattus norvegicus Opioid receptor IC50 12.0 nM 10.1021/jm00355a010
Rattus norvegicus Opioid receptor IC50 44.0 nM 10.1021/jm00344a005
Rattus norvegicus Opioid receptor IC50 150.0 nM 10.1021/jm00344a005
Rattus norvegicus Opioid receptor Kd 1.0 nM 10.1021/jm00202a018
Rattus norvegicus Opioid receptor Kd 154.0 nM 10.1021/jm00154a018
Rattus norvegicus Opioid receptor Ratio 1.1 None 10.1021/jm00154a018
Rattus norvegicus Opioid receptor Ratio 2.57 None 10.1021/jm00378a009
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2003.12.016
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00150a017
Rattus norvegicus Rattus norvegicus AD50 0.004 mg kg-1 10.1021/jm00196a002
Rattus norvegicus Rattus norvegicus AD50 0.008 mg kg-1 10.1021/jm00196a002
Rattus norvegicus Rattus norvegicus AD50 0.008 mg kg-1 10.1021/jm00210a013
Rattus norvegicus Rattus norvegicus AD50 0.023 mg kg-1 10.1021/jm00344a005
Rattus norvegicus Rattus norvegicus AD50 13.0 mg kg-1 10.1021/jm00344a005
Rattus norvegicus Rattus norvegicus AD99 0.1 mg kg-1 10.1021/jm00344a005
Rattus norvegicus Rattus norvegicus ALB 40700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 304.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 305.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 363.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 368.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 80.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 92.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.0 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 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Binding activity 2625.0 c.p.m. 10.1021/jm00180a019
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 110.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 460.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 523.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 636.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 250.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 383.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 400.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 678.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 48.8 mL.min-1.kg-1 10.1021/jm991030j
Rattus norvegicus Rattus norvegicus Clearance 54.6 ul min-1 10.1021/jm991030j
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Duration 3.0 hr 10.1021/jm00344a005
Rattus norvegicus Rattus norvegicus ED50 0.051 mg.kg-1 10.1021/jm00199a018
Rattus norvegicus Rattus norvegicus ED50 0.11 umol.kg-1 10.1021/jm00176a013
Rattus norvegicus Rattus norvegicus ED50 0.11 umol.kg-1 10.1021/jm00186a025
Rattus norvegicus Rattus norvegicus ED50 1.2 mg.kg-1 10.1021/jm00072a002
Rattus norvegicus Rattus norvegicus ED50 100.0 mg.kg-1 10.1021/jm00199a018
Rattus norvegicus Rattus norvegicus EOS 66.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 118.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 219.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 394.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1040.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1726.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1776.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1783.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.6 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.87 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 124300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus IC50 6.39 nM 10.1021/jm00373a004
Rattus norvegicus Rattus norvegicus IC50 42.0 nM 10.1021/jm00371a012
Rattus norvegicus Rattus norvegicus IC50 46.0 nM 10.1021/jm00371a012
Rattus norvegicus Rattus norvegicus Kd 10.0 nM 10.1021/jm00167a031
Rattus norvegicus Rattus norvegicus Ki 6000.0 nM 10.1021/jm00107a002
Rattus norvegicus Rattus norvegicus Ki 10000.0 nM 10.1021/jm00054a005
Rattus norvegicus Rattus norvegicus LDH 79.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 116.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 123.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 358.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 7.67 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 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9301.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13357.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14212.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15030.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.5 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.23 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 372300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 377300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 377700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 386700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.5 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.73 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 105.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 170.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 229.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 239.33 cells.uL-1 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 MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1026.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1117.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1597.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1746.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 125.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1087330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1255330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1344670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1424000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.64 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.28 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.32 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.34 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5290000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5720000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5740000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5830000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 148.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 22.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14930.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 17070.0 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 Sigma opioid receptor Ki 10000.0 nM 10.1021/jm901503e
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
Staphylococcus aureus Staphylococcus aureus Inhibition 11.42 % 10.6019/CHEMBL4296182
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 CL 0.01 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 0.14 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 0.402 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 0.502 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 0.675 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 2.22 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 10.9 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 14.2 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET CL 23.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 52.7 mL.min-1.g-1 10.1124/dmd.111.043984
None ADMET delta logD -0.81 None 10.1021/jm0000564
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET Fu 0.54 None 10.1021/jm030408h
None ADMET Fu 1.0 None 10.1124/dmd.111.043984
None ADMET Ke 1.2 None 10.1021/jm00364a001
None ADMET MRT 1.2 hr 10.1124/dmd.108.020479
None ADMET Papp 10.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 10.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 21.5 ucm/s 10.1124/dmd.110.034629
None ADMET Ratio -2.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.026 None 10.1124/dmd.111.043984
None ADMET Ratio 0.131 None 10.1124/dmd.111.043984
None ADMET Ratio 0.304 None 10.1124/dmd.111.043984
None ADMET Ratio 0.348 None 10.1124/dmd.111.043984
None ADMET Ratio 0.5 None 10.1124/dmd.110.034629
None ADMET Ratio 2.31 None 10.1124/dmd.111.043984
None ADMET Ratio 13.5 None 10.1124/dmd.111.043984
None ADMET Ratio 28.0 None 10.1124/dmd.111.043984
None ADMET Stability nan % 10.1021/acs.jmedchem.7b01086
None ADMET T1/2 1.1 hr 10.1124/dmd.108.020479
None ADMET Vdss 1.7 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 4.3 L.kg-1 10.1021/jm030408h
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 Molecular identity unknown Fu 0.57 None 10.1124/dmd.111.043984
None NON-PROTEIN TARGET Fu 0.54 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Fu 1.0 None 10.1124/dmd.111.043984
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None No relevant target LogD 0.64 None 10.1021/jm0000564
None No relevant target LogP 1.06 None 10.1021/jm00150a017
None No relevant target LogP 1.06 None 10.1021/jm00398a007
None No relevant target LogP 1.91 None 10.1021/jm00344a005
None No relevant target pKa 7.9 None 10.1021/jm0000564
None No relevant target pKa 7.94 None 10.1007/s11095-013-1232-z
None No relevant target pKa 7.94 None 10.1021/jm030408h
None No relevant target Solubility 414.0 ug.mL-1 10.1016/j.bmc.2010.08.003
None Nucleic Acid Ratio 1.0 None 10.1124/dmd.111.043984
None Unchecked Ac50 25.12 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 25118.9 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked AC50 44668.4 nM None
None Unchecked Activity nan None 10.1016/j.bmc.2009.07.024
None Unchecked Activity nan None 10.1016/j.bmcl.2014.05.033
None Unchecked EC50 6.26 nM 10.1016/j.bmc.2007.10.030
None Unchecked EC50 9.1 nM 10.1016/j.bmc.2007.10.030
None Unchecked IC50 23.0 nM 10.1021/jm00112a019
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1021/jm00202a018
None Unchecked Ke 1.22 nM 10.1021/jm00199a018
None Unchecked Ki 2.6 nM 10.1021/np100010z
None Unchecked Ki 3.9 nM 10.1021/np100010z
None Unchecked Ki 8.4 nM 10.1021/acs.jmedchem.1c00256
None Unchecked Ki 30.0 nM 10.1021/np100010z
None Unchecked Ki 53.2 nM 10.1021/jm300305c
None Unchecked Ki 103.0 nM 10.1021/acs.jmedchem.6b01868
None Unchecked Ki 10000.0 nM 10.1021/jm901503e
None Unchecked Ki 630000.0 nM 10.1016/j.pharmthera.2004.10.013
None Unchecked Ki 7460000.0 nM 10.1021/jm00368a002
None Unchecked Ki nan None 10.1016/j.ejmech.2011.01.064
None Unchecked Ki nan None 10.1021/acs.jmedchem.1c00256
None Unchecked Ki nan None None
None Unchecked Potency 18.5 None 10.1021/jm00373a004
None Unchecked Potency ratio 0.0 None 10.1021/jm00344a005
None Unchecked Ratio 0.3 None 10.1021/jm00150a017
None Unchecked Ratio 0.91 None 10.1021/jm00371a012
None Unchecked Ratio 1.1 None 10.1021/jm00364a001
None Unchecked Ratio 1.9 None 10.1021/jm00364a001
None Unchecked Ratio 3.4 None 10.1021/jm00364a001
None Unchecked Ratio 7.0 None 10.1021/jm00122a021
None Unchecked Ratio 12.0 None 10.1021/jm00122a021
None Unchecked Ratio 565.0 None 10.1021/jm00344a005
None Unchecked Ratio Ki 0.55 None 10.1016/j.bmcl.2008.10.134
None Unchecked Ratio Ki 1.0 None 10.1016/j.bmc.2011.03.052
None Unchecked Ratio Ki 1.8 None 10.1021/jm901503e
None Unchecked Ratio Ki 9.0 None 10.1016/j.bmcl.2008.01.106
None Unchecked Ratio Ki 25.0 None 10.1016/j.bmcl.2008.01.106
None Unchecked Ratio Ki 49.0 None 10.1021/jm901503e
None Unchecked Ratio Ki 100.0 None 10.1016/j.bmcl.2008.10.134
None Unchecked Ratio Ki 152.0 None 10.1016/j.bmc.2011.03.052

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001832 C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>C=CCN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5 enzymemap_34647
AKRT001833 C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5>>C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@@]3(O)[C@H]1C5 enzymemap_3086