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Ligand

NameCHEMBL3956293
Molecular formulaC32H31NO6
IUPAC name3-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]benzoic acid
Molecular weight525.601
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50195701
Inchi KeyCQGCQTYFJQFJBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H31NO6/c1-37-29-19-26(20-30(21-29)38-2)31(34)33(17-7-10-23-8-4-3-5-9-23)22-24-13-15-27(16-14-24)39-28-12-6-11-25(18-28)32(35)36/h3-6,8-9,11-16,18-21H,7,10,17,22H2,1-2H3,(H,35,36)
PubChem CID134145238
ChEMBLCHEMBL3956293
IUPHARN/A
BindingDB50195701
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
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GLASS IDNameUniProtGeneSpeciesLength
548453Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364

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