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Ligand

NameCHEMBL3896466
Molecular formulaC26H27F3N2O3
IUPAC name4-[1-[[6-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-7-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight472.508
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsUS9181279, E9
AUYTYEPFKREYLH-UHFFFAOYSA-N
BDBM191549
SCHEMBL14486697
4-(1-(6-(3-(trifluoromethyl)benzyl)-6-azaspiro[2.5]octane-5-carboxamido)cyclopropyl)benzoic acid
Inchi KeyAUYTYEPFKREYLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27F3N2O3/c27-26(28,29)20-3-1-2-17(14-20)16-31-13-12-24(8-9-24)15-21(31)22(32)30-25(10-11-25)19-6-4-18(5-7-19)23(33)34/h1-7,14,21H,8-13,15-16H2,(H,30,32)(H,33,34)
PubChem CID71186491
ChEMBLCHEMBL3896466
IUPHARN/A
BindingDB191549
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
536377Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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