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Ligand

NameCHEMBL3265141
Molecular formulaC33H39FO5
IUPAC name(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-1-ethoxy-2,2-dimethylpropyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Molecular weight534.668
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.5
SynonymsSCHEMBL2505371
BDBM50010918
Inchi KeyAAXGNQYETKQKSK-UCGGBYDDSA-N
Inchi IDInChI=1S/C33H39FO5/c1-6-38-32(33(2,3)4)29-16-21(10-14-26(29)28-18-24(37-5)13-15-30(28)34)20-39-25-9-7-8-23(17-25)27(19-31(35)36)22-11-12-22/h7-10,13-18,22,27,32H,6,11-12,19-20H2,1-5H3,(H,35,36)/t27-,32-/m0/s1
PubChem CID57707214
ChEMBLCHEMBL3265141
IUPHARN/A
BindingDB50010918
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
598Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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