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®
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
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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
Comments
The USAN refers to the monohydrate. Note that marketed formulations may contain saxagliptin hydrochloride PubChem CID 49800073.