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Ligand

NameCHEMBL3400226
Molecular formulaC27H31N3O
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
Molecular weight413.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50065723
Inchi KeyKAXCTWHYPLCXCZ-HEEDUKKLSA-N
Inchi IDInChI=1S/C27H31N3O/c1-3-19(2)26(28)18-30(27(31)25-16-24(25)22-10-7-15-29-17-22)23-13-11-21(12-14-23)20-8-5-4-6-9-20/h4-15,17,19,24-26H,3,16,18,28H2,1-2H3/t19-,24-,25+,26+/m0/s1
PubChem CID118727635
ChEMBLCHEMBL3400226
IUPHARN/A
BindingDB50065723
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
448170Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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