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Ligand

NameCHEMBL1682637
Molecular formulaC33H34Cl2F3N3O2
IUPAC name2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
Molecular weight632.549
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50337435
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-methyl-N-(4-(trifluoromethyl)benzyl)cyclopropanecarboxamide
Inchi KeyBHFWFRYXVQJKHL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-6-4-3-5-7-24)14-16-41(17-15-31)21-27-19-32(27,26-12-13-28(34)29(35)18-26)30(43)40(2)20-23-8-10-25(11-9-23)33(36,37)38/h3-13,18,27H,14-17,19-21H2,1-2H3,(H,39,42)
PubChem CID53324972
ChEMBLCHEMBL1682637
IUPHARN/A
BindingDB50337435
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23707Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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