AZD7594

Ligand id: 9325

Name: AZD7594

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 112.94
Molecular weight 606.23
XLogP 4.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{5-[(1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-1H-indazol-1-yl}-N-[(3R)-oxolan-3-yl]benzamide
Synonyms
AZ13189620 | compound 15m [PMID: 28937774]
Database Links
BindingDB Ligand 141372
CAS Registry No. 1196509-60-0 (source: PubChem)
ChEMBL Ligand CHEMBL3666807
GtoPdb PubChem SID 318164844
PubChem CID 67041274
Search Google for chemical match using the InChIKey ZZWJKLGCDHYVMB-BWGXUDETSA-N
Search Google for chemicals with the same backbone ZZWJKLGCDHYVMB
Search UniChem for chemical match using the InChIKey ZZWJKLGCDHYVMB-BWGXUDETSA-N
Search UniChem for chemicals with the same backbone ZZWJKLGCDHYVMB
Comments
AZD7594 is a novel non-steroidal modulator of inflammation [2]. Functionally it is a selective glucocorticoid receptor modulator (SGRM) delivered by inhalation, that is being developed for asthma and COPD [2]. Stereoisomers with 3S and 3R configuration at the bond with the tetrahydrofuran group are claimed in patent US8916600 (Examples 5 and 6 respectively) [1]. AZD7594 is identified as the 1R,2S,3′R stereoisomer in [2].