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Ligand

NameCHEMBL597785
Molecular formulaC29H29F4NO4
IUPAC name3-[2-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid
Molecular weight531.548
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50307432
SCHEMBL2976046
3-[2-[({1-[3-Fluoro-5-(trifluoromethyl)phenyl]-3-methylbutyl}amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
Inchi KeyBCWGHIPBCVXSKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29F4NO4/c1-18(2)12-26(21-14-22(29(31,32)33)16-23(30)15-21)34-28(37)25-13-19(8-9-20(25)10-11-27(35)36)17-38-24-6-4-3-5-7-24/h3-9,13-16,18,26H,10-12,17H2,1-2H3,(H,34,37)(H,35,36)
PubChem CID23017669
ChEMBLCHEMBL597785
IUPHARN/A
BindingDB50307432
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20592Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365

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