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Ligand

NameCHEMBL3288128
Molecular formulaC25H30N4O4S
IUPAC name1-(5-butanoyl-3-cyano-6-methylpyridin-2-yl)-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
Molecular weight482.599
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50019023
SCHEMBL3226457
Inchi KeyASNANLLWWPHWLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O4S/c1-4-5-23(30)22-14-21(15-26)24(27-18(22)3)29-12-10-20(11-13-29)25(31)28-34(32,33)16-19-8-6-17(2)7-9-19/h6-9,14,20H,4-5,10-13,16H2,1-3H3,(H,28,31)
PubChem CID68556579
ChEMBLCHEMBL3288128
IUPHARN/A
BindingDB50019023
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
13310P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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