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Ligand

NameBDBM67234
Molecular formulaC19H17ClN2O4
IUPAC namemethyl 5-[(4-chlorophenyl)-hydroxymethyl]-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
Molecular weight372.805
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
Synonyms3-[(4-chlorophenyl)-oxomethyl]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid methyl ester
5-(4-chlorobenzoyl)-4-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid methyl ester
cid_4691872
methyl 3-(4-chlorophenyl)carbonyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Inchi KeyCPBULYPIENLSMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN2O4/c1-25-14-9-5-11(6-10-14)15-16(21-22-17(15)19(24)26-2)18(23)12-3-7-13(20)8-4-12/h3-10,18,23H,1-2H3,(H,21,22)
PubChem CID91897666
ChEMBLN/A
IUPHARN/A
BindingDB67234
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47215Apelin receptorP35414APLNRHomo sapiens (Human)380
47214Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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