dovitinib

Ligand id: 5962

Name: dovitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 85.99
Molecular weight 392.18
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one
International Nonproprietary Names
INN number INN
8847 dovitinib
Synonyms
Chir 258 | CHIR-258 | TKI 258 | TKI-258
Database Links
CAS Registry No. 405169-16-6
ChEMBL Ligand CHEMBL522892
PubChem CID 9886808
Search Google for chemical match using the InChIKey KCOYQXZDFIIGCY-ZZEZOPTASA-N
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Search UniChem for chemical match using the InChIKey KCOYQXZDFIIGCY-ZZEZOPTASA-N
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Comments
Dovitinib is a multi-targeted receptor tyrosine kinase (RTK) inhibitor, with modest selectivity for Class III RTKs (IC50s 1-2nM), with IC50s for Class IV and V RTKs in the 8-13nM range. Please note that ChEMBL represents this compound as a tautomer of our structure.