radotinib

Ligand id: 7814

Name: radotinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 110.51
Molecular weight 530.18
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (South Korea (2012))
IUPAC Name
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
International Nonproprietary Names
INN number INN
9242 radotinib
Synonyms
IY-5511 | IY5511 | IY5511HCl | KB-146009 | Supect®
Database Links
CAS Registry No. 926037-48-1
GtoPdb PubChem SID 223366145
PubChem CID 16063245
Search Google for chemical match using the InChIKey DUPWHXBITIZIKZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DUPWHXBITIZIKZ
Search PubMed clinical trials radotinib
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Search UniChem for chemical match using the InChIKey DUPWHXBITIZIKZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DUPWHXBITIZIKZ
Wikipedia Radotinib
Comments
This drug is approved only in South Korea, for the treatment of chronic myeloid leukemia (CML), where its trade name is Supect.
It is Example 5 in patent US7501424 [1]. The marketed formulation contains the hydrochloride salt..