CX-6258

Ligand id: 9368

Name: CX-6258

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 65.79
Molecular weight 461.15
XLogP 4.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
Synonyms
compound 13 [PMID: 24900437] | CX6258
Database Links
BindingDB Ligand 50384714
CAS Registry No. 1202916-90-2 (source: PubChem)
ChEMBL Ligand CHEMBL2037200
GtoPdb PubChem SID 328083470
PubChem CID 44545852
RCSB PDB Ligand 9G5
Search Google for chemical match using the InChIKey KGBPLKOPSFDBOX-CJLVFECKSA-N
Search Google for chemicals with the same backbone KGBPLKOPSFDBOX
Search UniChem for chemical match using the InChIKey KGBPLKOPSFDBOX-CJLVFECKSA-N
Search UniChem for chemicals with the same backbone KGBPLKOPSFDBOX
Comments
CX-6258 is a non-selective but potent small molecule inhibitor of the PIM serine/threonine kinases [1].