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Ligand

NameCHEMBL3917128
Molecular formulaC34H35NO6
IUPAC name2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]-4-methylbenzoic acid
Molecular weight553.655
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.9
SynonymsSCHEMBL707709
BDBM50195690
Inchi KeyAAUXOLHCUCFSSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H35NO6/c1-23-12-17-29(34(37)38)32(19-23)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
PubChem CID66774778
ChEMBLCHEMBL3917128
IUPHARN/A
BindingDB50195690
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
535926Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364

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