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Ligand

NameCHEMBL3400217
Molecular formulaC29H31N3O
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(4-cyanophenyl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
Molecular weight437.587
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50065733
Inchi KeyGYKZTPPDIWHYHM-JQAQQEILSA-N
Inchi IDInChI=1S/C29H31N3O/c1-3-20(2)28(31)19-32(25-15-13-23(14-16-25)22-7-5-4-6-8-22)29(33)27-17-26(27)24-11-9-21(18-30)10-12-24/h4-16,20,26-28H,3,17,19,31H2,1-2H3/t20-,26-,27+,28+/m0/s1
PubChem CID118727626
ChEMBLCHEMBL3400217
IUPHARN/A
BindingDB50065733
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445978Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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