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Ligand

NameCHEMBL3400241
Molecular formulaC27H31N3O
IUPAC name(1R,2R)-N-[(2S)-2-amino-4-methylpentyl]-2-phenyl-N-(4-pyridin-4-ylphenyl)cyclopropane-1-carboxamide
Molecular weight413.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50065708
Inchi KeyHHTZBSVBBYTCRF-AYRHNUGRSA-N
Inchi IDInChI=1S/C27H31N3O/c1-19(2)16-23(28)18-30(27(31)26-17-25(26)22-6-4-3-5-7-22)24-10-8-20(9-11-24)21-12-14-29-15-13-21/h3-15,19,23,25-26H,16-18,28H2,1-2H3/t23-,25-,26+/m0/s1
PubChem CID118727650
ChEMBLCHEMBL3400241
IUPHARN/A
BindingDB50065708
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
446218Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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