ensartinib

Ligand id: 8959

Name: ensartinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 113.68
Molecular weight 546.13
XLogP 3.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
International Nonproprietary Names
INN number INN
10339 ensartinib
Synonyms
Example 18 [WO2012048259] [1] | X-396
Database Links
BindingDB Ligand 179297
CAS Registry No. 1365267-27-1 (source: PubChem)
GtoPdb PubChem SID 310264740
PubChem CID 56960447
Search Google for chemical match using the InChIKey ONPGOSVDVDPBCY-CQSZACIVSA-N
Search Google for chemicals with the same backbone ONPGOSVDVDPBCY
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Search UniChem for chemical match using the InChIKey ONPGOSVDVDPBCY-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone ONPGOSVDVDPBCY
Comments
X-396 is an orally available, investigational inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK). Lovly et al. (2011) report preclinical proof-of-concept findings for the utility of X-396 in ALK-driven cancers [2]