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Ligand

NameCHEMBL282871
Molecular formulaC19H22N4OS3
IUPAC name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methyl]acetamide
Molecular weight418.592
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL18840710
N-[1-(2-Thiazolylmethyl)piperidine-3-ylmethyl](benzothiazole-2-ylthio)acetamide
Inchi KeyBQQZZRPDNHIKAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4OS3/c24-17(13-26-19-22-15-5-1-2-6-16(15)27-19)21-10-14-4-3-8-23(11-14)12-18-20-7-9-25-18/h1-2,5-7,9,14H,3-4,8,10-13H2,(H,21,24)
PubChem CID11742790
ChEMBLCHEMBL282871
IUPHARN/A
BindingDBN/A
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
442862C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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