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Ligand

NameCHEMBL3953493
Molecular formulaC25H25F3N2O3
IUPAC name4-[1-[[3-[[4-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[4.1.0]heptane-4-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight458.481
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsUS9181279, E23
BDBM191557
BEUQPJMSVYNQEM-UHFFFAOYSA-N
SCHEMBL14486373
4-(1-(3-(4-(trifluoromethyl)benzyl)-3-azabicyclo[4.1.0]heptane-4-carboxamido)cyclopropyl)benzoic acid
Inchi KeyBEUQPJMSVYNQEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-1-15(2-6-20)13-30-14-18-11-17(18)12-21(30)22(31)29-24(9-10-24)19-7-3-16(4-8-19)23(32)33/h1-8,17-18,21H,9-14H2,(H,29,31)(H,32,33)
PubChem CID71186249
ChEMBLCHEMBL3953493
IUPHARN/A
BindingDB191557
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
536535Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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