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Ligand

NameCHEMBL585669
Molecular formulaC22H27N5OS2
IUPAC name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-[(6-methylpyridin-2-yl)methyl]-4-thiomorpholin-4-ylpyridin-2-amine
Molecular weight441.612
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.2
Synonyms6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-thiomorpholinopyridin-2-amine
BDBM50301204
Inchi KeyARDIAMNHXOVJPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-29-10-8-27)11-19(26-21)14-30-22-25-16(2)17(3)28-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
PubChem CID45487490
ChEMBLCHEMBL585669
IUPHARN/A
BindingDB50301204
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
12341Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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