General
Preferred name
vildagliptin
Synonyms
Vildagliptin dihydrate ()
LAF237 dihydrate ()
NVP-LAF 237 dihydrate ()
NVP-LAF 237 ()
LAF237 ()
Vildagliptin (LAF-237) ()
Vitagliptin ()
LAF 237 ()
LAF-237 ()
NVP-LAF237 ()
Galvus ()
Vildagliptin-d7 ()
P&D ID
PD009355
CAS
274901-16-5
1133208-42-0
Tags
covalent binder
natural product
drug
available
Approved by
EMA
First approval
2007
Drug Status
investigational
approved
Drug indication
Type-2 diabetes
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Vildagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug. (GtoPdb)
Compound Sets
24
AdooQ Bioactive Compound Library
A12528
Axon Medchem Screening Library
1631
Cayman Chemical Bioactives
14705
22373
ChEMBL Approved Drugs
CHEMBL142703
ChEMBL Drugs
CHEMBL142703
Concise Guide to Pharmacology 2017/18
6310
Concise Guide to Pharmacology 2019/20
6310
Concise Guide to Pharmacology 2021/22
6310
Concise Guide to Pharmacology 2023/24
6310
CovalentInDB
CI004946
DrugBank
DB04876
DrugBank Approved Drugs
DB04876
DrugCentral
3642
DrugCentral Approved Drugs
3642
DrugMAP
DMYN59P
DrugMAP Approved Drugs
DMYN59P
EU-OPENSCREEN Bioactive Compound Library
EOS100399
Guide to Pharmacology
6310
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL142703
MedChem Express Bioactive Compound Library
HY-14291
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
vildagliptin-laf-237
TargetMol Bioactive Compound Library
T1502
External IDs
68
Properties
(calculated by RDKit )
Molecular Weight
303.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
0
cLogP
1.17
TPSA
76.36
Fraction CSP3
0.88
Chiral centers
3.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Dipeptidyl Peptidase
DPP-4
Ferroptosis
DPP4 inhibitor
DPP
Pathway
Metabolic Enzyme/Protease
Proteases/Proteasome
Apoptosis
Source data