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Ligand

NameMLS000718851
Molecular formulaC22H23NO6S
IUPAC namedimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
Molecular weight429.487
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.1
Synonymsmethyl 1-[(3,4-dimethoxyphenyl)methyl]-5-(methoxycarbonyl)-4-(2-thienyl)-1,4-d ihydropyridine-3-carboxylate
STK036079
A2558/0108964
dimethyl 1-(3,4-dimethoxybenzyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SCHEMBL3324579
[ Show all ]
Inchi KeyABELRIIRVNKAGM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23NO6S/c1-26-17-8-7-14(10-18(17)27-2)11-23-12-15(21(24)28-3)20(19-6-5-9-30-19)16(13-23)22(25)29-4/h5-10,12-13,20H,11H2,1-4H3
PubChem CID1272579
ChEMBLCHEMBL1371761
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
773Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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