VILDAGLIPTIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: A10BH02
UNII: I6B4B2U96P

Structure
InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor
Primary Target
dipeptidyl peptidase 4
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9A subfamily
- 210000 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 0.58-24000 2.4-10.7 3-17000 94.66
Enzyme Protease Serine protease
- 0.58-24000 2.4-10.7 3-17000 94.66
Enzyme Transferase
- - - - -9.572-15.01
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.44-0.54

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Prediabetic State 3 D011236 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Glucose Intolerance 2 D018149 ClinicalTrials
Diabetes, Gestational 2 D016640 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 274901-16-5
ChEBI 135285
ChEMBL CHEMBL142703
DrugBank DB04876
DrugCentral 3642
EPA CompTox DTXSID80881091
FDA SRS I6B4B2U96P
Human Metabolome Database HMDB15596
Guide to Pharmacology 6310
PharmGKB PA165958346
PubChem 6918537
SureChEMBL SCHEMBL16579
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