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Ligand

NameCHEMBL566040
Molecular formulaC24H29N5O2S
IUPAC nameN-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-yl-6-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
Molecular weight451.589
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50301208
N-((6-methylpyridin-2-yl)methyl)-4-morpholino-6-((4,5,6,7-tetrahydrobenzo[d]oxazol-2-ylthio)methyl)pyridin-2-amine
Inchi KeyBPJLIMPTBHRRCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O2S/c1-17-5-4-6-18(26-17)15-25-23-14-20(29-9-11-30-12-10-29)13-19(27-23)16-32-24-28-21-7-2-3-8-22(21)31-24/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,25,27)
PubChem CID45487434
ChEMBLCHEMBL566040
IUPHARN/A
BindingDB50301208
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
29633Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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