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®
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..
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
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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