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Ligand

NameCHEMBL3973793
Molecular formulaC28H29NO5
IUPAC name2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[(E)-3-phenylprop-2-enyl]amino]methyl]phenyl]acetic acid
Molecular weight459.542
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50195571
Inchi KeyCGUDRHQQPYHOID-JXMROGBWSA-N
Inchi IDInChI=1S/C28H29NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-14,17-18H,15-16,19H2,1-3H3,(H,30,31)/b10-7+
PubChem CID134153933
ChEMBLCHEMBL3973793
IUPHARN/A
BindingDB50195571
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
548354Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364

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