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Ligand

NameCHEMBL3401459
Molecular formulaC29H35N3O2
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
Molecular weight457.618
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50065917
DRGVJVOOFKKBQN-NNPJNUEMSA-N
(1R,2R)-2-pyridin-2-yl-cyclopropanecarboxylic acid ((2S,3S)-2-amino-3-methyl-pentyl)-(4'-methoxymethyl-biphenyl-4-yl)-amide
SCHEMBL2521146
Inchi KeyDRGVJVOOFKKBQN-NNPJNUEMSA-N
Inchi IDInChI=1S/C29H35N3O2/c1-4-20(2)27(30)18-32(29(33)26-17-25(26)28-7-5-6-16-31-28)24-14-12-23(13-15-24)22-10-8-21(9-11-22)19-34-3/h5-16,20,25-27H,4,17-19,30H2,1-3H3/t20-,25+,26+,27+/m0/s1
PubChem CID51348956
ChEMBLCHEMBL3401459
IUPHARN/A
BindingDB50065917
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
444326Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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