ruboxistaurin

Ligand id: 5263

Name: ruboxistaurin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 68.5
Molecular weight 468.22
XLogP 3.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8108 ruboxistaurin
Synonyms
LY-333531
Database Links
CAS Registry No. 169939-94-0
ChEMBL Ligand CHEMBL91829
PubChem CID 153999
RCSB PDB Ligand LY4
Search Google for chemical match using the InChIKey ZCBUQCWBWNUWSU-SFHVURJKSA-N
Search Google for chemicals with the same backbone ZCBUQCWBWNUWSU
Search PubMed clinical trials ruboxistaurin
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Search PubMed titles/abstracts ruboxistaurin
Search UniChem for chemical match using the InChIKey ZCBUQCWBWNUWSU-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone ZCBUQCWBWNUWSU
SynPHARM 80356 (in complex with Pim-1 proto-oncogene, serine/threonine kinase)
Wikipedia Ruboxistaurin
Comments
The structure and activity of ruboxistaurin (as LY333531) is reported in [4]. Ruboxistaurin is selective for the PKC isozymes PKCβI and PKCβII compared to PKCα.
This compound is proposed to have therapeutic potential for treatment of nephropathy and vascular complications associated with diabetes mellitus [1].