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Ligand

NameCHEMBL3938316
Molecular formulaC25H25F3N2O3
IUPAC name4-[1-[[(3S)-2-[[4-(trifluoromethyl)phenyl]methyl]-2-azabicyclo[4.1.0]heptane-3-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight458.481
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.1
SynonymsN/A
Inchi KeyBNXIFJWQPYTJBN-SGDIKTSBSA-N
Inchi IDInChI=1S/C25H25F3N2O3/c26-25(27,28)19-6-1-15(2-7-19)14-30-20(10-5-17-13-21(17)30)22(31)29-24(11-12-24)18-8-3-16(4-9-18)23(32)33/h1-4,6-9,17,20-21H,5,10-14H2,(H,29,31)(H,32,33)/t17?,20-,21?/m0/s1
PubChem CID134148631
ChEMBLCHEMBL3938316
IUPHARN/A
BindingDBN/A
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
548199Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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