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Ligand

NameCHEMBL3944344
Molecular formulaC28H30FNO5
IUPAC name2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[3-(2-fluorophenyl)propyl]amino]methyl]phenyl]acetic acid
Molecular weight479.548
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL707545
BDBM50195552
Inchi KeyBSJYWLDRPGBCPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30FNO5/c1-19-25(34-2)16-23(17-26(19)35-3)28(33)30(14-6-8-22-7-4-5-9-24(22)29)18-21-12-10-20(11-13-21)15-27(31)32/h4-5,7,9-13,16-17H,6,8,14-15,18H2,1-3H3,(H,31,32)
PubChem CID66774701
ChEMBLCHEMBL3944344
IUPHARN/A
BindingDB50195552
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
536814Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364

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