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Ligand

NameCHEMBL225492
Molecular formulaC21H22ClN3
IUPAC nameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
Molecular weight351.878
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50197902
CTK1J3393
675133-20-7
N-[1-(4-chlorobenzyl)-3-piperidyl]-N-(5-isoquinolyl)amine
5-Isoquinolinamine, N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-
[ Show all ]
Inchi KeyAHBYTGBWKOEDEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3/c22-18-8-6-16(7-9-18)14-25-12-2-4-19(15-25)24-21-5-1-3-17-13-23-11-10-20(17)21/h1,3,5-11,13,19,24H,2,4,12,14-15H2
PubChem CID10360623
ChEMBLCHEMBL225492
IUPHARN/A
BindingDB50197902
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
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GLASS IDNameUniProtGeneSpeciesLength
5419C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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