saxagliptin

Ligand id: 6316

Name: saxagliptin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 90.35
Molecular weight 315.19
XLogP 0.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
International Nonproprietary Names
INN number INN
8577 saxagliptin
Synonyms
BMS-477118 | Onglyza®
Comments
The USAN refers to the monohydrate. Note that marketed formulations may contain saxagliptin hydrochloride PubChem CID 49800073.
Database Links
CAS Registry No. 361442-04-8 (source: PubChem)
ChEBI CHEBI:71272
ChEMBL Ligand CHEMBL385517
DrugBank Ligand DB06335
GtoPdb PubChem SID 178102934
PubChem CID 11243969
Search Google for chemical match using the InChIKey QGJUIPDUBHWZPV-SGTAVMJGSA-N
Search Google for chemicals with the same backbone QGJUIPDUBHWZPV
Search PubMed clinical trials saxagliptin
Search PubMed titles saxagliptin
Search PubMed titles/abstracts saxagliptin
Search UniChem for chemical match using the InChIKey QGJUIPDUBHWZPV-SGTAVMJGSA-N
Search UniChem for chemicals with the same backbone QGJUIPDUBHWZPV
SynPHARM 78507 (in complex with dipeptidyl peptidase 4)
Wikipedia Saxagliptin