dovitinib   Click here for help

GtoPdb Ligand ID: 5962

Synonyms: Chir 258 | CHIR-258 | TKI 258 | TKI-258
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 61.93
Molecular weight 392.18
XLogP 3.52
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c(=C1C(=O)N=c3c(=C1N)c(F)ccc3)[nH]2
Isomeric SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]/c(=C/1\C(=O)N=c3c(=C1N)c(F)ccc3)/[nH]2
InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8847 dovitinib
Synonyms Click here for help
Chir 258 | CHIR-258 | TKI 258 | TKI-258
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-1839035
Reactome Reaction Reactome logo R-HSA-1839039, R-HSA-2023462, R-HSA-2077420, R-HSA-9669893, R-HSA-9669898
Other databases
CAS Registry No. 405169-16-6
ChEMBL Ligand CHEMBL522892
GtoPdb PubChem SID 178102585
PubChem CID 135398510
Search Google for chemical match using the InChIKey KCOYQXZDFIIGCY-ZZEZOPTASA-N
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UniChem Compound Search for chemical match using the InChIKey KCOYQXZDFIIGCY-ZZEZOPTASA-N
UniChem Connectivity Search for chemical match using the InChIKey KCOYQXZDFIIGCY-ZZEZOPTASA-N