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Ligand

NameCHEMBL3400235
Molecular formulaC26H31N3OS
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
Molecular weight433.614
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50065714
Inchi KeyFGQRRMXBKHZLLS-QKBJRNKPSA-N
Inchi IDInChI=1S/C26H31N3OS/c1-4-17(2)24(27)16-29(26(30)23-14-22(23)25-28-15-18(3)31-25)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-13,15,17,22-24H,4,14,16,27H2,1-3H3/t17-,22+,23+,24+/m0/s1
PubChem CID118727644
ChEMBLCHEMBL3400235
IUPHARN/A
BindingDB50065714
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
444758Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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