AZ12971554

Ligand id: 7727

Name: AZ12971554

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 125.6
Molecular weight 457.11
XLogP 2.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug AZD8165
IUPAC Name
(5S)-N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-4,5-dihydro-1H-pyrazole-5-carboxamide
Synonyms
AZ 12971554 | AZ-12971554
Database Links
GtoPdb PubChem SID 223366060
PubChem CID 44537923
Search Google for chemical match using the InChIKey GMKHQRCPNMGCIX-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone GMKHQRCPNMGCIX
Search UniChem for chemical match using the InChIKey GMKHQRCPNMGCIX-ZWKOTPCHSA-N
Search UniChem for chemicals with the same backbone GMKHQRCPNMGCIX
Comments
This structure was drawn from [2]. AZ12971554 is an investigational direct thrombin inhibitor. Direct thrombin inhibitors are considered to exhibit improved clinical properties compared to the historically used anticoagulant warfarin.
This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.