bosutinib

Ligand id: 5710

Name: bosutinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 82.88
Molecular weight 529.16
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2012), EMA (2013))
IUPAC Name
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
International Nonproprietary Names
INN number INN
8715 bosutinib
Synonyms
Bosulif® | SK 606 | SK-606 | SKI 606
Database Links
CAS Registry No. 380843-75-4
ChEMBL Ligand CHEMBL288441
DrugBank Ligand DB06616
PubChem CID 5328940
RCSB PDB Ligand DB8
Search Google for chemical match using the InChIKey UBPYILGKFZZVDX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UBPYILGKFZZVDX
Search PubMed clinical trials bosutinib
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Search PubMed titles/abstracts bosutinib
Search UniChem for chemical match using the InChIKey UBPYILGKFZZVDX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UBPYILGKFZZVDX
SynPHARM 78765 (in complex with ABL proto-oncogene 1, non-receptor tyrosine kinase)
81443 (in complex with serine/threonine kinase 10)
81653 (in complex with serine/threonine kinase 24)
81398 (in complex with SRC proto-oncogene, non-receptor tyrosine kinase)
Wikipedia Bosutinib
Comments
Bosutinib is a Type-1 kinase inhibitor. This compound is a dual inhibitor of Src family kinases and Abl kinase activity [7].