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Ligand

NameCHEMBL549699
Molecular formulaC18H24N6OS
IUPAC name2-[[4-morpholin-4-yl-6-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]amino]acetonitrile
Molecular weight372.491
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsSCHEMBL963098
2-(4-morpholino-6-((1,4,5-trimethyl-1H-imidazol-2-ylthio)methyl)pyridin-2-ylamino)acetonitrile
BDBM50296000
Inchi KeyBVDPSUAZHYUEMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N6OS/c1-13-14(2)23(3)18(21-13)26-12-15-10-16(24-6-8-25-9-7-24)11-17(22-15)20-5-4-19/h10-11H,5-9,12H2,1-3H3,(H,20,22)
PubChem CID44229544
ChEMBLCHEMBL549699
IUPHARN/A
BindingDB50296000
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
33639Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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