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Ligand

NameSMR000102878
Molecular formulaC18H17ClN2O5S
IUPAC namemethyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Molecular weight408.853
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsAC1MDQFC
Oprea1_264788
Oprea1_321702
MLS000105904
MLS002539699
[ Show all ]
Inchi KeyAANFFBFJGDXJBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17ClN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)
PubChem CID2841174
ChEMBLCHEMBL1735683
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
463002Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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