sotrastaurin

Ligand id: 7946

Name: sotrastaurin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 94.22
Molecular weight 438.18
XLogP 2.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
International Nonproprietary Names
INN number INN
8893 sotrastaurin
Synonyms
AEB-071 | AEB071
Database Links
CAS Registry No. 425637-18-9
ChEMBL Ligand CHEMBL565612
PubChem CID 10296883
RCSB PDB Ligand LW4
Search Google for chemical match using the InChIKey OAVGBZOFDPFGPJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OAVGBZOFDPFGPJ
Search PubMed clinical trials sotrastaurin
Search PubMed titles sotrastaurin
Search PubMed titles/abstracts sotrastaurin
Search UniChem for chemical match using the InChIKey OAVGBZOFDPFGPJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OAVGBZOFDPFGPJ
SynPHARM 80860 (in complex with protein kinase C alpha)
Comments
The discovery of sotrastaurin is described in [1]. The compound is a a potent and selective pan-PKC inhibitor.