SU9516

Ligand id: 6045

Name: SU9516

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 67.01
Molecular weight 241.09
XLogP 1.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one
Synonyms
AC1NRD9P | SU-9516
Database Links
CAS Registry No. 666837-93-0
ChEMBL Ligand CHEMBL258805
DrugBank Ligand DB03428
PubChem CID 5289419
RCSB PDB Ligand SU9
Search Google for chemical match using the InChIKey QNUKRWAIZMBVCU-WCIBSUBMSA-N
Search Google for chemicals with the same backbone QNUKRWAIZMBVCU
Search UniChem for chemical match using the InChIKey QNUKRWAIZMBVCU-WCIBSUBMSA-N
Search UniChem for chemicals with the same backbone QNUKRWAIZMBVCU
SynPHARM 80574 (in complex with cyclin dependent kinase 2)
Comments
SU9516 is a potent inhibitor of several cyclin-dependent kinases (CDKs) with selectivity for CDK2 [3].