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Ligand

NameCHEMBL3400273
Molecular formulaC29H34N2O2
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
Molecular weight442.603
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50065940
Inchi KeyDNGHAXMJFHLUFA-JQAQQEILSA-N
Inchi IDInChI=1S/C29H34N2O2/c1-3-20(2)28(30)18-31(29(33)27-17-26(27)24-7-5-4-6-8-24)25-15-13-23(14-16-25)22-11-9-21(19-32)10-12-22/h4-16,20,26-28,32H,3,17-19,30H2,1-2H3/t20-,26-,27+,28+/m0/s1
PubChem CID118727682
ChEMBLCHEMBL3400273
IUPHARN/A
BindingDB50065940
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
444220Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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