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Ligand

NameCHEMBL566041
Molecular formulaC22H27N5OS2
IUPAC name6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-ylpyridin-2-amine
Molecular weight441.612
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
Synonyms6-((4,5-dimethylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
BDBM50301209
Inchi KeyARCGKZALGSLFHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
PubChem CID45487435
ChEMBLCHEMBL566041
IUPHARN/A
BindingDB50301209
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
12294Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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