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name Structure Reference Source Properties Activities Metabolism

Anandamide

AlkaPlorer ID: AK319372

Synonym: None

IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

Structure

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=NCCO

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InChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

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InChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Selliguea feei Selliguea Polypodiaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Shuteria involucrata Shuteria Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Perilla frutescens Perilla Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mytilus edulis Mytilus Mytilidae Mytilida Bivalvia Mollusca Metazoa Eukaryota
Agave aurea Agave Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trillium camschatcense Trillium Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Achillea macrophylla Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Encephalartos altensteinii Encephalartos Zamiaceae Cycadales Cycadopsida Streptophyta Viridiplantae Eukaryota
Ajuga spectabilis Ajuga Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Callistemon viminalis Callistemon Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Prangos pabularia Prangos Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gardenia collinsae Gardenia Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pentzia incana Pentzia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ligularia muliensis Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Emilia sonchifolia Emilia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crinum erubescens Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gymnosporia senegalensis Gymnosporia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Myrmica sabuleti Myrmica Formicidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Alstroemeria revoluta Alstroemeria Alstroemeriaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia marginata Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Marrubium alysson Marrubium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Astragalus tragacantha Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ircinia oros Ircinia Irciniidae Dictyoceratida Demospongiae Porifera Metazoa Eukaryota
Baphia nitida Baphia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nuphar lutea Nuphar Nymphaeaceae Nymphaeales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Xenorhabdus bovienii Xenorhabdus Morganellaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Trifolium subterraneum Trifolium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Guanomyces polythrix Guanomyces None Sordariales Sordariomycetes Ascomycota Fungi Eukaryota
Penicillium olsonii Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Teucrium oxylepis Teucrium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 347.5430000000001

TPSA？: 52.82000000000001

MolLogP？: 6.080900000000007

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acanthamoeba castellanii Acanthamoeba castellanii IC50 17000.0 nM 10.1128/aac.01825-09
Acanthamoeba castellanii Acanthamoeba castellanii Inhibition 68.0 % 10.1128/aac.01825-09
Acanthamoeba castellanii Acanthamoeba castellanii Inhibition nan % 10.1128/aac.01825-09
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 44668.4 nM None
Bos taurus Potassium channel subfamily K member 2 IC50 1000.0 nM 10.1021/acs.jmedchem.5b00671
Equus caballus Ferritin light chain Potency 28183.8 nM None
Homo sapiens 143B Activity nan None 10.1021/acs.jmedchem.8b00243
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 10000.0 nM None
Homo sapiens Anandamide amidohydrolase Activity nan None 10.1021/jm200723m
Homo sapiens Anandamide amidohydrolase IC50 3400.0 nM 10.1021/jm800311k
Homo sapiens Anandamide amidohydrolase IC50 4100.0 nM 10.1021/acs.jmedchem.8b00243
Homo sapiens Anandamide amidohydrolase Ki 10000.0 nM 10.1021/jm020818q
Homo sapiens Anandamide amidohydrolase T1/2 0.22 hr 10.1021/acs.jmedchem.8b00611
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 141.3 nM None
Homo sapiens Bloom syndrome protein Potency 35481.3 nM None
Homo sapiens Cannabinoid CB1 receptor Inhibition nan % 10.1021/jm0302647
Homo sapiens Cannabinoid CB1 receptor Ki 11.0 nM 10.1021/jm900130m
Homo sapiens Cannabinoid CB1 receptor Ki 39.2 nM 10.1021/jm0200761
Homo sapiens Cannabinoid CB1 receptor Ki 50.0 nM 10.1021/acs.jmedchem.6b00538
Homo sapiens Cannabinoid CB1 receptor Ki 50.0 nM 10.1021/jm058183t
Homo sapiens Cannabinoid CB1 receptor Ki 70.0 nM 10.1016/j.bmcl.2006.04.059
Homo sapiens Cannabinoid CB1 receptor Ki 70.0 nM 10.1021/jm051240y
Homo sapiens Cannabinoid CB1 receptor Ki 70.0 nM 10.1021/jm200529h
Homo sapiens Cannabinoid CB1 receptor Ki 70.0 nM 10.1021/jm8011382
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1016/j.bmc.2007.05.060
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1016/j.bmc.2014.07.006
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1016/j.bmc.2020.115513
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1016/j.bmcl.2005.09.023
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1021/jm0501533
Homo sapiens Cannabinoid CB1 receptor Ki 72.0 nM 10.1021/jm8016255
Homo sapiens Cannabinoid CB1 receptor Ki 89.0 nM 10.1016/j.bmc.2016.08.055
Homo sapiens Cannabinoid CB1 receptor Ki 89.0 nM 10.1021/jm4005626
Homo sapiens Cannabinoid CB1 receptor Ki 300.0 nM 10.1021/jm0302647
Homo sapiens Cannabinoid CB1 receptor Ki 1800.0 nM 10.1021/jm0302647
Homo sapiens Cannabinoid CB1 receptor Log Ki 1.95 nM 10.1021/jm991074s
Homo sapiens Cannabinoid CB2 receptor Ki 160.0 nM 10.1021/acs.jmedchem.8b00611
Homo sapiens Cannabinoid CB2 receptor Ki 168.0 nM 10.1021/jm900130m
Homo sapiens Cannabinoid CB2 receptor Ki 180.0 nM 10.1016/j.bmcl.2005.09.023
Homo sapiens Cannabinoid CB2 receptor Ki 180.0 nM 10.1016/j.bmcl.2006.04.059
Homo sapiens Cannabinoid CB2 receptor Ki 180.0 nM 10.1021/jm051240y
Homo sapiens Cannabinoid CB2 receptor Ki 180.0 nM 10.1021/jm8011382
Homo sapiens Cannabinoid CB2 receptor Ki 371.0 nM 10.1016/j.bmc.2016.08.055
Homo sapiens Cannabinoid CB2 receptor Ki 371.0 nM 10.1021/jm4005626
Homo sapiens Cannabinoid CB2 receptor Ki 1000.0 nM 10.1021/jm015545y
Homo sapiens Cannabinoid CB2 receptor Log Ki 2.57 nM 10.1021/jm991074s
Homo sapiens Cytochrome P450 51 IC50 200000.0 nM 10.1124/dmd.106.013888
Homo sapiens DNA polymerase kappa Potency 39810.7 nM None
Homo sapiens HOS Activity nan None 10.1021/acs.jmedchem.8b00243
Homo sapiens LNCaP Control 112.0 % 10.1016/s0960-894x(00)00370-x
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens MG-63 Activity nan None 10.1021/acs.jmedchem.8b00243
Homo sapiens Potassium channel subfamily K member 3 IC50 3000.0 nM 10.1021/acs.jmedchem.9b00248
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1152/ajprenal.1999.276.2.f295
Homo sapiens Vanilloid receptor Activity 1.0 uM 10.1038/nchembio0705-85
Homo sapiens Vanilloid receptor EC50 15.8 nM 10.1021/jm300484d
Homo sapiens Vanilloid receptor EC50 200.0 nM 10.1021/jm900130m
Homo sapiens Vanilloid receptor EC50 490.0 nM 10.1021/jm051240y
Homo sapiens Vanilloid receptor EC50 630.0 nM 10.1021/jm4005626
Homo sapiens Vanilloid receptor Emax 54.7 % 10.1021/jm051240y
Homo sapiens Vitamin D receptor Potency 70794.6 nM None
Mus musculus Anandamide amidohydrolase Activity nan None 10.1021/jm200723m
Mus musculus Anandamide amidohydrolase Km 15000.0 nM 10.1021/np030242n
Mus musculus Cannabinoid CB1 receptor EC50 360.0 nM 10.1021/jm900130m
Mus musculus Cannabinoid CB1 receptor Emax 68.6 % 10.1021/jm900130m
Mus musculus Cannabinoid CB1 receptor IC50 39.0 nM 10.1016/s0960-894x(03)00721-2
Mus musculus Cannabinoid CB1 receptor IC50 12000.0 nM 10.1016/s0960-894x(03)00721-2
Mus musculus Cannabinoid CB1 receptor Ki 89.0 nM 10.1021/jm970212f
Mus musculus Cannabinoid CB1 receptor Ki 5400.0 nM 10.1021/jm970212f
Mus musculus Cannabinoid CB1 receptor pKb 8.52 None 10.1016/j.ejmech.2007.04.007
Mus musculus Cannabinoid CB2 receptor Ki 1000.0 nM 10.1021/acs.jmedchem.8b00611
Mus musculus Cannabinoid CB2 receptor Ki 1926.0 nM 10.1021/jm960152y
Mus musculus Cannabinoid CB2 receptor Ki 1930.0 nM 10.1021/jm970257g
Mus musculus Cannabinoid receptor Ki 52.0 nM 10.1021/jm00072a026
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.8b00611
Mus musculus Mus musculus Body temperature -3.18 degrees C 10.1021/jm00038a020
Mus musculus Mus musculus Body temperature -1.43 degrees C 10.1021/jm00038a020
Mus musculus Mus musculus EC50 52.7 nM 10.1021/jm9702950
Mus musculus Mus musculus ED50 6.2 mg.kg-1 10.1021/jm970212f
Mus musculus Mus musculus ED50 6.2 mg.kg-1 10.1021/jm9702950
Mus musculus Mus musculus ED50 6.2 mg.kg-1 10.1021/jm980711w
Mus musculus Mus musculus ED50 17.4 umol.kg-1 10.1021/jm9505167
Mus musculus Mus musculus ED50 17.9 mg.kg-1 10.1021/jm970212f
Mus musculus Mus musculus ED50 17.9 mg.kg-1 10.1021/jm9702950
Mus musculus Mus musculus ED50 17.9 mg.kg-1 10.1021/jm980711w
Mus musculus Mus musculus ED50 19.1 mg.kg-1 10.1021/jm970212f
Mus musculus Mus musculus ED50 19.1 mg.kg-1 10.1021/jm9702950
Mus musculus Mus musculus ED50 19.1 mg.kg-1 10.1021/jm980711w
Mus musculus Mus musculus ED50 26.5 mg.kg-1 10.1021/jm970212f
Mus musculus Mus musculus ED50 26.5 mg.kg-1 10.1021/jm9702950
Mus musculus Mus musculus ED50 26.5 mg.kg-1 10.1021/jm980711w
Mus musculus Mus musculus ED50 50.3 umol.kg-1 10.1021/jm9505167
Mus musculus Mus musculus Emax 100.0 % 10.1021/jm9702950
Mus musculus Mus musculus Hypokinesia 10.2 Counts 10.1021/jm00038a020
Mus musculus Mus musculus Hypokinesia 14.7 Counts 10.1021/jm00038a020
Mus musculus Mus musculus IC50 52.0 nM 10.1021/jm00038a020
Mus musculus Mus musculus Ring immobility 64.2 % 10.1021/jm00038a020
Mus musculus Mus musculus Ring immobility 93.9 % 10.1021/jm00038a020
Mus musculus Mus musculus Tail flick -3.5 % 10.1021/jm00038a020
Mus musculus Mus musculus Tail flick 44.6 % 10.1021/jm00038a020
Mus musculus RAW264.7 Activity 110.0 % 10.1016/j.bmc.2008.10.015
Rattus norvegicus Anandamide amidohydrolase Activity nan None 10.1016/j.ejmech.2009.08.003
Rattus norvegicus Anandamide amidohydrolase IC50 11748.98 nM 10.1021/jm900324e
Rattus norvegicus Anandamide amidohydrolase Ki 3000.0 nM 10.1016/s0960-894x(03)00348-2
Rattus norvegicus Anandamide amidohydrolase Km 2780.0 nM 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Rate of hydrolysis 1.3 nM min-1 mg-1 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 1.68 None 10.1016/s0960-894x(00)00528-x
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 21.1 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 33.5 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 40.9 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 43.8 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 58.8 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 70.0 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 76.8 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 85.2 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 87.0 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 87.7 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 91.1 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 97.4 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 98.1 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 102.1 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 106.4 % 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase T1/2 0.2017 hr 10.1021/acs.jmedchem.8b00611
Rattus norvegicus Anandamide amidohydrolase Vmax 1.4 nM min-1 mg-1 10.1021/jm980461j
Rattus norvegicus Brain AUC 64.3 ng.hr/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain AUC 232.9 ng.hr/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain AUC 311.6 ng.hr/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain Cmax 6.8 ng/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain Cmax 19.1 ng/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain Cmax 19.2 ng/g 10.1016/j.bmc.2013.12.023
Rattus norvegicus Brain Tmax 4.0 hr 10.1016/j.bmc.2013.12.023
Rattus norvegicus Cannabinoid CB1 receptor Affinity 19.0 % 10.1016/s0960-894x(03)00348-2
Rattus norvegicus Cannabinoid CB1 receptor EC50 69.0 nM 10.1021/acs.jmedchem.8b00611
Rattus norvegicus Cannabinoid CB1 receptor EC50 15848.93 nM 10.1016/j.bmcl.2004.03.093
Rattus norvegicus Cannabinoid CB1 receptor EC50 15848.93 nM 10.1021/jm0505157
Rattus norvegicus Cannabinoid CB1 receptor Emax 61.0 % 10.1021/acs.jmedchem.8b00611
Rattus norvegicus Cannabinoid CB1 receptor Emax 380.0 % 10.1016/j.bmcl.2004.03.093
Rattus norvegicus Cannabinoid CB1 receptor Emax 380.0 % 10.1021/jm0505157
Rattus norvegicus Cannabinoid CB1 receptor IC50 40.0 nM 10.1016/s0960-894x(03)00721-2
Rattus norvegicus Cannabinoid CB1 receptor Ki 22.0 nM 10.1021/jm970239z
Rattus norvegicus Cannabinoid CB1 receptor Ki 39.2 nM 10.1021/jm960752x
Rattus norvegicus Cannabinoid CB1 receptor Ki 61.0 nM 10.1021/jm970257g
Rattus norvegicus Cannabinoid CB1 receptor Ki 72.0 nM 10.1021/jm058183t
Rattus norvegicus Cannabinoid CB1 receptor Ki 74.0 nM 10.1021/acs.jmedchem.8b00611
Rattus norvegicus Cannabinoid CB1 receptor Ki 78.0 nM 10.1021/jm960152y
Rattus norvegicus Cannabinoid CB1 receptor Ki 78.0 nM 10.1021/jm980461j
Rattus norvegicus Cannabinoid CB1 receptor Ki 89.0 nM 10.1016/j.ejmech.2016.02.005
Rattus norvegicus Cannabinoid CB1 receptor Ki 89.0 nM 10.1021/jm980711w
Rattus norvegicus Cannabinoid CB1 receptor Ki 90.0 nM 10.1016/s0960-894x(03)00348-2
Rattus norvegicus Cannabinoid CB1 receptor Ki 90.0 nM 10.1021/jm020818q
Rattus norvegicus Cannabinoid CB1 receptor Ki 132.0 nM 10.1016/j.ejmech.2009.08.003
Rattus norvegicus Cannabinoid CB1 receptor Ki 285.0 nM 10.1021/jm015545y
Rattus norvegicus Cannabinoid CB1 receptor Ki 400.0 nM 10.1021/np030242n
Rattus norvegicus Cannabinoid CB1 receptor Ki 800.0 nM 10.1016/s0960-894x(00)00689-2
Rattus norvegicus Cannabinoid CB1 receptor Ki 1000.0 nM 10.1021/acs.jmedchem.8b00611
Rattus norvegicus Cannabinoid CB1 receptor Ki 5400.0 nM 10.1021/jm980711w
Rattus norvegicus Cannabinoid CB1 receptor Ki 5810.0 nM 10.1021/jm970257g
Rattus norvegicus Cannabinoid CB2 receptor Ki 360.0 nM 10.1021/jm020818q
Rattus norvegicus Cannabinoid receptor Ki 25.0 nM 10.1021/jm9702950
Rattus norvegicus Cannabinoid receptor Ki 78.0 nM 10.1021/jm00038a020
Rattus norvegicus Cannabinoid receptor Ki 282.0 nM 10.1021/jm9702950
Rattus norvegicus Cannabinoid receptor Ki 1180.0 nM 10.1021/jm00038a020
Rattus norvegicus Cannabinoid receptor Ratio 0.36 None 10.1021/jm020818q
Rattus norvegicus Plasma AUC 3.4 ng.hr.mL-1 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma AUC 7.9 ng.hr.mL-1 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma AUC 9.5 ng.hr.mL-1 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma Cmax 0.5755 nM 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma Cmax 1.151 nM 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma Cmax 1.439 nM 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma Tmax 8.0 hr 10.1016/j.bmc.2013.12.023
Rattus norvegicus Plasma Tmax 12.0 hr 10.1016/j.bmc.2013.12.023
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2007.04.009
Rattus norvegicus Rattus norvegicus IC50 19000.0 nM 10.1021/jm051240y
Rattus norvegicus Rattus norvegicus Immobility time 750.0 % 10.1016/s0960-894x(00)00689-2
Rattus norvegicus Rattus norvegicus Inhibition 35.0 % 10.1016/s0960-894x(99)00148-1
Rattus norvegicus Rattus norvegicus Inhibition 100.0 % 10.1016/s0960-894x(99)00148-1
Rattus norvegicus Rattus norvegicus Latency time 165.0 % 10.1016/s0960-894x(00)00689-2
Rattus norvegicus Rattus norvegicus Rectal temperature 1.93 degrees C 10.1016/s0960-894x(00)00689-2
Rattus norvegicus Rattus norvegicus Rectal temperature 2.53 degrees C 10.1016/s0960-894x(00)00689-2
Rattus norvegicus RBL-2H3 IC50 14500.0 nM 10.1021/jm051240y
Rattus norvegicus RBL-2H3 IC50 50000.0 nM 10.1021/acs.jmedchem.9b00994
Rattus norvegicus Transient receptor potential cation channel subfamily V member 2 IC50 960.0 nM 10.1021/acs.jmedchem.8b00734
Rattus norvegicus Transient receptor potential cation channel subfamily V member 2 IC50 8600.0 nM 10.1021/acs.jmedchem.8b00734
Rattus norvegicus Vanilloid receptor Ki 169.0 nM 10.1021/jm015545y
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
None ADMET Activity 74.0 % 10.1016/j.bmc.2008.10.015
None NON-PROTEIN TARGET IC50 14000.0 nM 10.1128/aac.01825-09
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1128/aac.01825-09
None NON-PROTEIN TARGET Inhibition 58.0 % 10.1128/aac.01825-09
None NON-PROTEIN TARGET Inhibition 96.0 % 10.1128/aac.01825-09
None NON-PROTEIN TARGET Inhibition nan % 10.1128/aac.01825-09
None Platelet Activity nan None 10.1016/j.bmc.2008.08.054
None T-cell Activity 0.1 % 10.1016/j.bmc.2007.01.013
None T-cell Activity 50.8 % 10.1016/j.bmc.2007.01.013
None Unchecked Activity nan None 10.1016/j.bmc.2008.08.054
None Unchecked Ki 370.0 nM 10.1021/jm058183t
None Unchecked Ki 10000.0 nM 10.1021/jm020818q
None Unchecked Km 9300.0 nM 10.1021/np030242n
None Unchecked Potency 4466.8 nM None
None Unchecked PPB nan % 10.1021/acs.jmedchem.6b00397
None Unchecked Ratio Ki 4.2 None 10.1021/jm4005626
None Unchecked Vmax / Km 0.5 ml min-1 kg-1 10.1021/jm980461j

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000011 */C=C/OC[C@@H](O)COP(=O)(O)OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO RXN-20551
AKRT000017 */C=C/OC[C@H](COP(=O)(O)OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO RXN-20553
AKRT000321 *C(=O)OC[C@@H](O)COP(=O)(O)OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO RXN-20547
AKRT000338 *C(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO RXN-20502
AKRT007557 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O RXN6666-2
AKRT007558 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.NCCO None
AKRT007559 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)NCCO)OO RXN-20571
AKRT007560 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)NCCO 53156
AKRT007561 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCC(=O)NCCO 53140
AKRT007562 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\CC1OC1C/C=C\C/C=C\CCCC(=O)NCCO 53144
AKRT007563 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCO)OO RXN-20572
AKRT007564 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 53148
AKRT007565 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)OO RXN-20575
AKRT007566 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>NCCO RXN6666-2
AKRT007567 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO>>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO)NCCO 53152
AKRT007568 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)O>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 56532
AKRT007569 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 45528
AKRT007570 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(C)=O)OC(C)=O>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 56548
AKRT007571 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO enzymemap_57778
AKRT007572 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@H](O)CO/C=C\CCCCCCCCCCCCCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 53192
AKRT007573 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@H](O)CO>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO RXN-20556
AKRT007574 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 45544