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Ligand

NameCHEMBL282285
Molecular formulaC21H22ClN3OS2
IUPAC name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
Molecular weight431.997
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsAKOS006598078
ZINC28230897
353791-86-3
SCHEMBL18840703
BDBM50099476
[ Show all ]
Inchi KeyCDBSOQNHMUTLEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3OS2/c22-16-7-5-15(6-8-16)13-25-11-9-17(10-12-25)23-20(26)14-27-21-24-18-3-1-2-4-19(18)28-21/h1-8,17H,9-14H2,(H,23,26)
PubChem CID10873705
ChEMBLCHEMBL282285
IUPHARN/A
BindingDB50099476
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39144C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
39143C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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