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Ligand

NameCHEMBL3818972
Molecular formulaC29H28FN3O5
IUPAC name(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-phenylpentanoic acid
Molecular weight517.557
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50183374
SCHEMBL18964098
Inchi KeyBKIKIBZQDFIDCV-NRFANRHFSA-N
Inchi IDInChI=1S/C29H28FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h3-10,12-13,15-16,18,21H,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1
PubChem CID127051222
ChEMBLCHEMBL3818972
IUPHARN/A
BindingDB50183374
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522341Apelin receptorP35414APLNRHomo sapiens (Human)380

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