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Ligand

NameAC1OIWKI
Molecular formulaC22H24N4O2S
IUPAC name2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
Molecular weight408.52
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL1316781
ZINC4503999
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
MCULE-3875258132
AKOS024659088
[ Show all ]
Inchi KeyAABACIJMINAVTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O2S/c1-16-6-5-11-26-20(16)23-21(24-22(26)28)29-15-19(27)25-12-9-18(10-13-25)14-17-7-3-2-4-8-17/h2-8,11,18H,9-10,12-15H2,1H3
PubChem CID7259272
ChEMBLCHEMBL1316781
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
462976Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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