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Ligand

NameCHEMBL3326675
Molecular formulaC21H25FN4O5S2
IUPAC nameS-(1-methylcyclopropyl) 4-[5-fluoro-6-(2-methyl-6-methylsulfonylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidine-1-carbothioate
Molecular weight496.572
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50056012
Inchi KeyPMXPFGAJPBGCFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25FN4O5S2/c1-13-15(4-5-16(25-13)33(3,28)29)31-19-17(22)18(23-12-24-19)30-14-6-10-26(11-7-14)20(27)32-21(2)8-9-21/h4-5,12,14H,6-11H2,1-3H3
PubChem CID118711783
ChEMBLCHEMBL3326675
IUPHARN/A
BindingDB50056012
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
452138Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335
452139Glucose-dependent insulinotropic receptorQ7TQN8Gpr119Rattus norvegicus (Rat)468

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