ISA-2011B

Ligand id: 8444

Name: ISA-2011B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 74.87
Molecular weight 423.1
XLogP 1.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
PubChem CID 49853637
Search Google for chemical match using the InChIKey FSEZESVJDPKRDS-UWJYYQICSA-N
Search Google for chemicals with the same backbone FSEZESVJDPKRDS
Search UniChem for chemical match using the InChIKey FSEZESVJDPKRDS-UWJYYQICSA-N
Search UniChem for chemicals with the same backbone FSEZESVJDPKRDS
Comments
Patent search with this structure reveals SCHEMBL10020974 ID matching a structure (Analogue 1) in patent WO2010149944 [3]. ISA-2011B is being evaluated pre-clinically as a potential anti-prostate cancer therapeutic [5].