VILDAGLIPTIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A10BH02
UNII I6B4B2U96P
EPA CompTox DTXSID80881091

Structure

InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Smiles N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N3O2
Molecular Weight 303.41
AlogP 1.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 76.36
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 0.12-680 2.4-10.7 3-810 94.66
Enzyme Protease Serine protease
- 0.12-680 2.4-10.7 3-810 94.66
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 680-680 - - -
Homo sapiens
- 0.12-200 2.4-10.7 3-68 94.66
Porphyromonas gingivalis
- - - 17 -
Rattus norvegicus
- - - - 73-84

Target Conservation

Protein: Dipeptidyl peptidase IV
Description: Dipeptidyl peptidase 4
Organism : Homo sapiens
P27487 ENSG00000197635

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 135285
ChEMBL CHEMBL142703
DrugBank DB04876
DrugCentral 3642
FDA SRS I6B4B2U96P
Human Metabolome Database HMDB0015596
Guide to Pharmacology 6310
PharmGKB PA165958346
PubChem 6918537
SureChEMBL SCHEMBL16579
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