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Ligand

NameCHEMBL1682628
Molecular formulaC33H37Cl2N3O2
IUPAC name2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
Molecular weight578.578
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50337425
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-methyl-N-(2-methylbenzyl)cyclopropanecarboxamide
Inchi KeyAKNNBMGJZOFXCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37Cl2N3O2/c1-23-9-7-8-10-25(23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-11-5-4-6-12-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)
PubChem CID53317081
ChEMBLCHEMBL1682628
IUPHARN/A
BindingDB50337425
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
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GLASS IDNameUniProtGeneSpeciesLength
7718Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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