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Ligand

NameCHEMBL3400228
Molecular formulaC26H30N4O
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
Molecular weight414.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50065721
Inchi KeyJVMVFEBSVMTHQQ-LWZKNFMGSA-N
Inchi IDInChI=1S/C26H30N4O/c1-3-18(2)24(27)17-30(26(31)23-16-22(23)25-28-14-7-15-29-25)21-12-10-20(11-13-21)19-8-5-4-6-9-19/h4-15,18,22-24H,3,16-17,27H2,1-2H3/t18-,22+,23+,24+/m0/s1
PubChem CID118727637
ChEMBLCHEMBL3400228
IUPHARN/A
BindingDB50065721
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
448034Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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