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Ligand

NameCHEMBL181678
Molecular formulaC26H32ClFN2O
IUPAC name1-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
Molecular weight443.003
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50161435
SCHEMBL18840741
1-[4-(4-Chloro-3-fluoro-benzyl)-[1,4'''']bipiperidinyl-1''''-yl]-2-o-tolyl-ethanone
Inchi KeyAOPIAXYQYXZZMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32ClFN2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3
PubChem CID44389730
ChEMBLCHEMBL181678
IUPHARN/A
BindingDB50161435
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10469C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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