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name Structure Reference Source Properties Activities Metabolism

Levodopa

AlkaPlorer ID: AK003786

Synonym: None

IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid

Structure

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

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InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

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InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Capsicum annuum Capsicum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brassica rapa Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Machilus robusta Machilus Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Kalanchoe marmorata Kalanchoe Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bruguiera cylindrica Bruguiera Rhizophoraceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Beta vulgaris Beta Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Cucurbita maxima Cucurbita Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Thymus transcaucasicus Thymus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phaseolus vulgaris Phaseolus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cucurbita pepo Cucurbita Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Thymus magnus Thymus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Spinacia oleracea Spinacia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tuberosum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
Vicia faba Vicia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Jacobaea arnautorum Jacobaea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cucumis sativus Cucumis Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anethum graveolens Anethum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ophiocoma echinata Ophiocoma Ophiocomidae Amphilepidida Ophiuroidea Echinodermata Metazoa Eukaryota
Symphytum tuberosum Symphytum Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium cepa Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brassica oleracea Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia lathyris Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Portulaca oleracea Portulaca Portulacaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pseudophegopteris subaurita Pseudophegopteris Thelypteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 197.19

TPSA？: 103.78000000000002

MolLogP？: 0.0522000000000001

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Km 860000.0 nM 10.1016/j.bmc.2006.12.042
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 6.3 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 39810.7 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 223500.0 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Callithrix jacchus Callithrix jacchus Activity nan None 10.1021/jm100971t
Callithrix jacchus Callithrix jacchus Inhibition nan % 10.1021/jm100971t
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase KA 0.96 uM 10.1016/j.bmc.2009.12.058
Candida glabrata CBS 138 Carbonic anhydrase Ka 23.3 uM 10.1016/j.bmcl.2010.01.054
Canis lupus familiaris MDCK logPapp -5.94 None 10.1021/jm901846t
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 Don Inhibition 6.0 % 10.1021/jm00138a006
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 KA 43.3 uM 10.1016/j.bmc.2009.12.058
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Danio rerio Danio rerio Inhibition nan % 10.1016/j.ejmech.2021.113850
Daucus carota Daucus carota Activity 17.9 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 22.9 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 26.8 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 27.4 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 27.9 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 28.1 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 28.2 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 28.4 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 31.7 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 32.2 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 42.8 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity 66.1 ug 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota Activity nan None 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 59.6 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 60.9 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 62.0 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 64.9 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 80.9 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 83.7 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 84.7 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 88.2 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 95.8 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 96.6 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 99.6 % 10.1016/j.cropro.2005.06.011
Daucus carota Daucus carota GI 101.9 % 10.1016/j.cropro.2005.06.011
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Escherichia coli GroEL/GroES Inhibition 62.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES Inhibition 99.0 % 10.1016/j.bmcl.2019.02.028
Homo sapiens A-375 Inhibition nan % 10.1016/j.ejmech.2021.113850
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 28850.3 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 Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 15-lipoxygenase Potency 39810.7 nM None
Homo sapiens Ataxin-2 Potency 11220.2 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 12589.3 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Bloom syndrome protein Potency 1358.0 nM None
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Caco-2 logPapp -5.82 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase I Ka 3.1 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase I Ka 3.1 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase I KA 3.1 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ka 11.4 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase II Ka 11.4 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase II Ka 11.4 uM 10.1016/j.bmcl.2009.01.105
Homo sapiens Carbonic anhydrase II Ka 11.4 uM 10.1016/j.bmcl.2010.01.054
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase II KA 11.4 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Carbonic anhydrase III Ka 13.5 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase III KA 13.5 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase IV Ka 15.3 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase IV KA 15.3 uM 10.1016/j.bmcl.2009.05.026
Homo sapiens Carbonic anhydrase IX KA 51.3 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase VA KA 0.036 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VB KA 0.063 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VI Ka 18.0 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase VI KA 18.0 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase VII KA 58.3 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase XII KA 1.67 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase XIV KA 12.1 uM 10.1016/j.bmcl.2007.05.052
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 Cerebroside-sulfatase Potency 37933.0 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholesterol 24-hydroxylase Activity 100.0 % None
Homo sapiens Chromobox protein homolog 1 Potency 19952.6 nM None
Homo sapiens Chromobox protein homolog 1 Potency 31622.8 nM None
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 670.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 4110.0 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 AC50 14030.1 nM 10.1038/s41467-023-40064-9
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 AC50 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 AC50 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 AC50 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 AC50 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 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 1995.3 nM None
Homo sapiens DNA polymerase eta Potency 7568.6 nM None
Homo sapiens DNA polymerase eta Potency 31622.8 nM None
Homo sapiens DNA polymerase iota Potency 3358.7 nM None
Homo sapiens DNA polymerase iota Potency 22387.2 nM None
Homo sapiens DNA polymerase kappa Potency 1000.0 nM None
Homo sapiens DNA polymerase kappa Potency 6701.6 nM None
Homo sapiens DNA polymerase kappa Potency 11917.3 nM None
Homo sapiens DNA polymerase kappa Potency 22387.2 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D1 receptor Potency 8199.5 nM None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 316.2 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 3981.1 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 2880.0 nM None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 900000.0 nM 10.1021/jm00130a020
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan nM 10.1021/jm00130a020
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Flap endonuclease 1 Potency 3768.6 nM None
Homo sapiens Flap endonuclease 1 Potency 37933.0 nM None
Homo sapiens Flap endonuclease 1 Potency 50118.7 nM None
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 3162.3 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 14125.4 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 35481.3 nM None
Homo sapiens HEK293 Potency 25017.6 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -17.33 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 2.77 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7943.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 19952.6 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 0.86 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 23.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.23 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens F 100.0 % 10.1021/jm901846t
Homo sapiens Homo sapiens Peff 3.4 None 10.1021/jm9810102
Homo sapiens Homo sapiens T1/2 0.5 hr 10.1016/j.bmcl.2018.07.030
Homo sapiens Homo sapiens T1/2 1.0 hr 10.1016/j.bmcl.2018.07.030
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 10000.0 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 56234.1 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 Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
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 L-type amino acid transporter 1 IC50 100000.0 nM 10.1016/j.bmcl.2018.07.030
Homo sapiens L-type amino acid transporter 1 Inhibition nan % 10.1016/j.bmcl.2018.07.030
Homo sapiens L-type amino acid transporter 1 Vmax 2.6 nmol/mg/min 10.1016/j.bmcl.2018.07.030
Homo sapiens Lysine-specific demethylase 4A Potency 39810.7 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 12589.3 nM None
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Monoamine oxidase B Activity nan None 10.1021/jm800656v
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 7519.3 nM None
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Oligopeptide transporter small intestine isoform IC50 141200000.0 nM 10.1021/js980132e
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 37933.0 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 89125.1 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 4D 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 Runt-related transcription factor 1/Core-binding factor subunit beta Potency 3981.1 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 11741.4 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Skin log Kp -7.75 None 10.1016/j.bmc.2007.07.050
Homo sapiens SLC16A10 protein Km 1212500.0 nM 10.1006/geno.2001.6678
Homo sapiens Solute carrier family 22 member 1 Inhibition 21.7 % 10.1021/jm8003152
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 86.05 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 90.65 % 10.1124/mol.112.084152
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 Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosinase IC50 8400000.0 nM 10.1016/s0960-894x(03)00395-0
Homo sapiens Tyrosine-protein kinase FYN IC50 2146.0 nM None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 3729.0 nM None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 501.2 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 20749.1 nM 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 3.5 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 4294.3 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 6701.6 nM None
Homo sapiens YT-NU Inhibition 24.0 % 10.1021/jm00138a006
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
Leishmania mexicana Pyruvate kinase Potency 25118.9 nM None
Methanobacterium thermoautotrophicum Carbonic anhydrase Ka 11.4 uM 10.1016/j.bmcl.2010.01.054
Methanosarcina thermophila Carbonic anhydrase KA 39.0 uM 10.1016/j.bmcl.2016.11.027
Mus musculus Carbonic anhydrase 15 KA 6.5 uM 10.1016/j.bmcl.2009.05.026
Mus musculus Carbonic anhydrase XIII KA 43.0 uM 10.1016/j.bmcl.2006.05.023
Mus musculus Mus musculus Activity 65.6 % 10.1007/s00044-011-9786-y
Mus musculus Mus musculus Activity 65.64 % 10.1007/s00044-008-9127-y
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2012.07.077
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2022.128920
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.1c00578
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.2c00949
Mus musculus Mus musculus Activity nan None 10.1021/jm00223a006
Mus musculus Mus musculus BBB Impermeable nan None 10.1021/jm990968+
Mus musculus Mus musculus Cmax 1120.0 nM 10.1021/jm00155a018
Mus musculus Mus musculus Cmax 4730.0 nM 10.1021/jm00155a018
Mus musculus Mus musculus Cmax 16200.0 nM 10.1021/jm00155a018
Mus musculus Mus musculus ED50 248.0 mg.kg-1 10.1021/jm00197a009
Mus musculus Mus musculus INH 19.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 25.1 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 38.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 85.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 86.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 88.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus INH 108.0 min 10.1016/j.ejmech.2009.04.007
Mus musculus Mus musculus TIME 0.008889 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.01361 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.0275 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.03306 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.03389 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.03806 hr 10.1007/s00044-011-9786-y
Mus musculus Mus musculus TIME 0.295 hr 10.1021/jm00197a009
Mus musculus Mus musculus TIME 0.4 hr 10.1021/jm00197a009
Mus musculus Mus musculus TIME 0.5333 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 0.8167 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 1.65 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 1.983 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 2.033 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 2.283 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus TIME 9.3 hr 10.1007/s00044-008-9127-y
Mus musculus Mus musculus Tmax 0.4167 hr 10.1021/jm00155a018
Mus musculus Mus musculus Tmax 0.5 hr 10.1021/jm00155a018
Mus musculus Mus musculus Tmax 1.0 hr 10.1021/jm00155a018
Mus musculus Mus musculus Tmax 1.5 hr 10.1021/jm00155a018
Mus musculus Mus musculus Tmax 3.0 hr 10.1021/jm00155a018
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 2258.0 nM None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Photinus pyralis Luciferin 4-monooxygenase Potency 32196.8 nM None
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
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 Amino acid transporter Inhibition 25.0 % None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus 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 Monocarboxylate transporter 10 Activity 40.0 % 10.1074/jbc.m009462200
Rattus norvegicus Monocarboxylate transporter 10 Activity nan None 10.1074/jbc.m009462200
Rattus norvegicus Monocarboxylate transporter 10 Km 6430000.0 nM 10.1074/jbc.m009462200
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 70.8 nM None
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 3219.7 nM None
Rattus norvegicus Rattus norvegicus Activity 0.07 pmol/mg 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus Activity 2.0 % 10.1016/j.bmc.2010.08.005
Rattus norvegicus Rattus norvegicus Activity 2.6 cm/s 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus Activity 3.36 pmol/mg 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus Activity 3.44 None 10.1016/j.ejmech.2021.113907
Rattus norvegicus Rattus norvegicus Activity 4.6 None 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus Activity 5.7 % 10.1016/j.bmc.2010.08.005
Rattus norvegicus Rattus norvegicus Activity 9.6 None 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus Activity 71.0 None 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus Activity 86.0 None 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus Activity 104.0 None 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus Activity 203.4 U/g.Hb 10.1021/jm070037v
Rattus norvegicus Rattus norvegicus Activity 316.8 cm 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus Activity 522.0 None 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus Activity 795.6 U/g 10.1021/jm070037v
Rattus norvegicus Rattus norvegicus Activity 1021.0 None 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus Activity nan None 10.1007/s00044-007-9074-z
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.7b00991
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
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 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 308.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 349.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 360.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 367.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 395.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 415.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 43.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 50.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 68.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 117730.0 ng.hr.mL-1 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus AUMC 1053.92 ug/ml.hr'2 10.1021/jm801266x
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 1.5 ug.mL-1 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 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 158.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 161.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 203.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 543.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 580.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 593.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 610.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 636.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 653.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 255.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 271.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 286.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 336.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 372.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 665.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Cmax 28551.14 nM 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus Cmax 52000.0 nM 10.1021/jm00155a018
Rattus norvegicus Rattus norvegicus CO2 22000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24170000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Counts of rotation 287.0 turns hr-1 10.1016/0960-894X(95)00379-8
Rattus norvegicus Rattus norvegicus Cp 83.0 ug ml-1 10.1021/jm070037v
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 26.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 48.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 86.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1240.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1370.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1393.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1583.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1738.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.27 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.48 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.27 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 95.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 116.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 128.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 167.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 188.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 401.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7319.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7583.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11289.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12090.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13173.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14031.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 95.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.87 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.2 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.3 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.88 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.23 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 380000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 383700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 385200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 388300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.0 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.15 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.52 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 48.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 56.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 104.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 131.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 166.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 188.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MRT 8.95 hr 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus NEUTLE 4.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 539.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 674.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 780.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1058.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1090.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2130.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Permeability 5.38 None 10.1016/0960-894X(95)00379-8
Rattus norvegicus Rattus norvegicus PHOS 103.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 103.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 106.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 119.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1181330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1186670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1259670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1267000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1320000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1582000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.99 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.08 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.09 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.11 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.24 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5230000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5350000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5570000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5750000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5780000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6060000.0 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 144.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.55 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus TIME 0.01808 hr 10.1021/jm2001579
Rattus norvegicus Rattus norvegicus TIME 0.5833 hr 10.1021/jm00223a006
Rattus norvegicus Rattus norvegicus TIME 1.5 hr 10.1021/jm00223a006
Rattus norvegicus Rattus norvegicus TIME 1.983 hr 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus TIME 2.117 hr 10.1021/jm00223a006
Rattus norvegicus Rattus norvegicus TIME 2.667 hr 10.1016/j.ejmech.2010.05.062
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tmax 1.03 hr 10.1021/jm801266x
Rattus norvegicus Rattus norvegicus URATE 8.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8420.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11930.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 29934.9 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 90.0 uM 10.1016/j.bmcl.2009.01.105
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 90.0 uM 10.1016/j.bmcl.2010.01.054
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 6.989 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1611 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.06 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.05 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.008759 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Activity 32.0 % 10.1016/j.bmcl.2021.128259
Staphylococcus aureus Staphylococcus aureus Activity 84.0 % 10.1016/j.bmcl.2021.128259
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 6-phospho-1-fructokinase Potency 23934.1 nM None
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 9528.3 nM None
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 22387.2 nM None
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Phosphoglycerate kinase Potency 4606.1 nM None
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
Trypanosoma cruzi (strain CL Brener) Carbonic anhydrase-like protein, putative KA 0.83 uM 10.1016/j.bmc.2018.07.011
None ADMET Activity 0.03 % 10.1016/0960-894X(95)00379-8
None ADMET CL 17.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 19.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 23.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 23.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 109.0 mL.min-1.kg-1 10.1002/jps.20373
None ADMET Cmax 8100.0 nM 10.1021/jm00155a018
None ADMET Cmax 9500.0 nM 10.1021/jm00155a018
None ADMET Drug metabolism nan None 10.1021/acs.jmedchem.1c01333
None ADMET F 33.0 % 10.1016/0960-894X(95)00379-8
None ADMET logPapp -6.0 None 10.1124/dmd.111.041665
None ADMET Log Pion -2.0 None 10.1021/jm9810102
None ADMET MRT 1.2 hr 10.1124/dmd.108.020479
None ADMET permeability 0.0 % 10.1021/jm800156z
None ADMET permeability 0.0 10'6cm/s 10.1021/jm800156z
None ADMET permeability 3.4 10'-4 cm/s 10.1021/jm901846t
None ADMET Stability nan % 10.1016/j.bmcl.2018.07.030
None ADMET T1/2 0.2588 hr 10.1016/j.bmcl.2018.07.030
None ADMET T1/2 1.3 hr 10.1124/dmd.108.020479
None ADMET T1/2 30.0 hr 10.1021/acs.jmedchem.1c01333
None ADMET Tmax 0.5 hr 10.1021/jm00155a018
None ADMET Vdss 0.4 L.kg-1 10.1002/jps.20373
None ADMET Vdss 0.47 L.kg-1 10.1002/jps.20373
None ADMET Vdss 1.7 L.kg-1 10.1002/jps.20373
None ADMET Vdss 1.7 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 9.8 mL/min/kg 10.1002/jps.20373
None Hepatotoxicity DILI positive/negative 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None NON-PROTEIN TARGET Activity 76.0 % 10.1016/j.bmc.2010.10.012
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2016.10.008
None NON-PROTEIN TARGET Fu 0.76 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 3.3 % 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) 9.0 % 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 nan None 10.1016/j.bmc.2010.01.068
None No relevant target CLogP -2.92 None 10.1021/jm9810102
None No relevant target Daq 9.0 10'-6cm2/s 10.1021/jm901846t
None No relevant target GOF 1.4 None 10.1021/jm9810102
None No relevant target Inhibition 65.0 % 10.1016/j.bmc.2010.10.012
None No relevant target K 1.93 10'7/M/s 10.1016/j.bmcl.2014.12.017
None No relevant target K 2.07 10'5/M/s 10.1016/j.bmcl.2014.12.017
None No relevant target K 2.55 10'9/M/s 10.1016/j.bmcl.2014.12.017
None No relevant target K 2.59 10'7/M/s 10.1016/j.bmcl.2014.12.017
None No relevant target K 3.48 10'4/M/s 10.1016/j.bmcl.2014.12.017
None No relevant target K nan None 10.1016/j.bmcl.2014.12.017
None No relevant target LogD -1.22 None 10.1124/dmd.111.041665
None No relevant target LogD5.5 -2.0 None 10.1021/jm9810102
None No relevant target LogD6.5 -2.0 None 10.1021/jm9810102
None No relevant target LogD7.4 -2.0 None 10.1021/jm9810102
None No relevant target LogP -3.0 None 10.1021/jm901846t
None No relevant target LogP -2.38 None 10.1016/j.bmc.2010.01.041
None No relevant target LogP -2.0 None 10.1021/jm9810102
None No relevant target pKa 2.21 None 10.1021/jm901846t
None No relevant target pKa 12.73 None 10.1021/jm9810102
None No relevant target Ratio 0.91 None 10.1016/j.bmcl.2014.12.017
None No relevant target Ratio 1.85 None 10.1016/j.bmcl.2014.12.017
None No relevant target Ratio 19.3 None 10.1016/j.bmcl.2014.12.017
None No relevant target Ratio 27.4 None 10.1016/j.bmcl.2014.12.017
None No relevant target Ratio 215.0 None 10.1016/j.bmcl.2014.12.017
None No relevant target Ratio 4308.0 None 10.1016/j.bmcl.2014.12.017
None No relevant target Solubility 3.6 ug.mL-1 10.1016/j.bmc.2010.01.041
None No relevant target Stability 99.8 % 10.1016/j.bmcl.2018.07.030
None Unchecked Activity nan None 10.1016/j.ejmech.2021.113850
None Unchecked Activity nan None 10.1021/jm070037v
None Unchecked Hepatotoxicity (acute) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 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) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 526.11 nM None
None Unchecked IC50 661.65 nM None
None Unchecked IC50 nan None None
None Unchecked Inhibition 23.0 % 10.1016/j.bmc.2010.10.012
None Unchecked Inhibition nan % 10.1016/j.bmc.2010.10.012
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ka 11.4 uM 10.1016/j.bmcl.2009.01.105
None Unchecked KA 0.004 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 0.072 uM 10.1016/j.bmcl.2016.11.027
None Unchecked KA 0.09 uM 10.1016/j.bmcl.2012.08.088
None Unchecked KA 0.09 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 1.64 uM 10.1016/j.bmc.2018.07.011
None Unchecked KA 8.31 uM 10.1016/j.bmcl.2016.01.078
None Unchecked KA 11.4 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 15.0 uM 10.1016/j.bmc.2010.01.059
None Unchecked KA 38.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 39.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked Kcat 2.31 10'6/s 10.1016/j.bmcl.2016.11.027
None Unchecked Kd 19000.0 nM 10.1016/j.ejmech.2021.113850
None Unchecked Ki nan None None
None Unchecked Potency 2238.7 nM None
None Unchecked Potency 5011.9 nM None
None Unchecked Potency 7304.8 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 14381.8 nM None
None Unchecked Potency 15785.0 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005241 CC(C)=CCOP(=O)(O)OP(=O)(O)O.N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>CC(C)=CCOc1ccc(C[C@H](N)C(=O)O)cc1O enzymemap_39940
AKRT014684 C[SAH].N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>COc1cc(C[C@H](N)C(=O)O)ccc1O RXN-10870
AKRT018759 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O.O=C(O)[C@@H]1Cc2cc(O)c(O)cc2N1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O RXN-11369
AKRT019166 N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccc(O)c(O)c1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O R02077
AKRT019499 N[C@@H](CO)C(=O)O.Oc1ccccc1O>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O enzymemap_83515
AKRT019873 N[C@@H](Cc1cc(O)c(O)c(SC[C@H](N)C(=O)O)c1)C(=O)O>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O RXN-18895
AKRT019885 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O 2.6.1.49-RXN
AKRT019886 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>O=C(O)C(=O)Cc1ccc(O)c(O)c1 2.6.1.49-RXN
AKRT019887 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1>>O=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1 RXN-8491
AKRT019888 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NC(CC(=O)O)c1ccc(O)c(O)c1 enzymemap_88257
AKRT019889 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1 RXN66-221
AKRT019890 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1.O=C=O None
AKRT019891 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>N[C@@H](C/C(C=O)=C/C=C(/O)C(=O)O)C(=O)O STIZOLOBINATE-SYNTHASE-RXN
AKRT019892 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>N[C@@H](CC(=C/C=O)/C=C(/O)C(=O)O)C(=O)O RXN-8460
AKRT019893 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O RXN-13061
AKRT019894 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C(O)/C=C/c1ccc(O)c(O)c1 RXN-14987
AKRT019895 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C(O)C(=O)Cc1ccc(O)c(O)c1 R08920
AKRT019896 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C(O)CCc1ccc(O)c(O)c1 R08846
AKRT019897 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C(O)CCc1cccc(O)c1O MNXR175224
AKRT019898 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C(O)[C@@H]1Cc2cc(O)c(O)cc2N1 R13032
AKRT019899 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C1C=C2C[C@@H](C(=O)O)NC2=CC1=O MNXR133060
AKRT019900 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=C=O RXN66-221
AKRT019901 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>O=CCc1ccc(O)c(O)c1 R11916
AKRT019902 N[C@@H](Cc1ccc(O)c(O)c1SC[C@H](N)C(=O)O)C(=O)O>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O RXN-18894
AKRT019974 N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O RXN-14990
AKRT020008 N[C@@H](Cc1cccc(O)c1)C(=O)O>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O enzymemap_14461
AKRT020063 N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)c(O)c1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O MNXR144362
AKRT022606 O=C(O)C(=O)Cc1ccc(O)c(O)c1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O R08920
AKRT022836 O=C(O)CCc1ccc(O)c(O)c1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 4.3.1.22-RXN