mapracorat

Ligand id: 9654

Name: mapracorat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 54.38
Molecular weight 462.19
XLogP 6.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
9214 mapracorat
Synonyms
BOL-303242-X | ZK-245186 | ZK245186
Database Links
CAS Registry No. 887375-26-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL2103876
PubChem CID 24795088
Search Google for chemical match using the InChIKey VJGFOYBQOIPQFY-XMMPIXPASA-N
Search Google for chemicals with the same backbone VJGFOYBQOIPQFY
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Search UniChem for chemical match using the InChIKey VJGFOYBQOIPQFY-XMMPIXPASA-N
Search UniChem for chemicals with the same backbone VJGFOYBQOIPQFY
Comments
Mapracorat is a novel non-steroidal selective glucocorticoid receptor agonist (SEGRA) [3-4]. SEGRAs exert their pharmacological effect by activating only the transrepression pathway, which is in contrast to traditional glucocorticosteroids (GCs) which activate both the transactivation and transrepression pathways.The pharmaceutical industry is trying to develop new GCs that are as effective as traditional GCs, but with fewer limiting adverse effects. Mapracorat and GSK866 are prototype compounds that were designed to address this clinical need.