SU11652

Ligand id: 6043

Name: SU11652

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.23
Molecular weight 414.18
XLogP 3.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Synonyms
SU-11652
Database Links
CAS Registry No. 326914-10-7
ChEMBL Ligand CHEMBL13485
DrugBank Ligand DB08009
PubChem CID 5329103
RCSB PDB Ligand J60
Search Google for chemical match using the InChIKey XPLJEFSRINKZLC-ATVHPVEESA-N
Search Google for chemicals with the same backbone XPLJEFSRINKZLC
Search UniChem for chemical match using the InChIKey XPLJEFSRINKZLC-ATVHPVEESA-N
Search UniChem for chemicals with the same backbone XPLJEFSRINKZLC
Comments
SU11652 is a cell-permeable compound that acts as a potent, reversible, and ATP-competitive tyrosine kinase receptor inhibitor. The synthesis and discovery of this compound is decribed in [4], where it is compound 12c.