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Ligand

NameCHEMBL3400240
Molecular formulaC27H31N3O
IUPAC name(1R,2R)-N-[(2S)-2-amino-4-methylpentyl]-2-phenyl-N-(4-pyridin-3-ylphenyl)cyclopropane-1-carboxamide
Molecular weight413.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50065709
Inchi KeyINAIWEFOXIQSBT-AYRHNUGRSA-N
Inchi IDInChI=1S/C27H31N3O/c1-19(2)15-23(28)18-30(27(31)26-16-25(26)21-7-4-3-5-8-21)24-12-10-20(11-13-24)22-9-6-14-29-17-22/h3-14,17,19,23,25-26H,15-16,18,28H2,1-2H3/t23-,25-,26+/m0/s1
PubChem CID118727649
ChEMBLCHEMBL3400240
IUPHARN/A
BindingDB50065709
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447084Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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