CK‐101

Ligand id: 9863

Name: CK‐101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 93.62
Molecular weight 530.22
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
CK101 | Example 153 [US20170050936A1] | RX-518 | RX518
Comments
CK‐101 is an orally available third-generation, selective inhibitor of epidermal growth factor receptor (EGFR) harbouring activating mutations (e.g. the resistance mutation T790M, the L858R mutation and the exon 19 deletion (del 19) mutation). It is an irreversible (covalent binding) inhibitor with minimal activity towards the wild type EGFR. The chemical structure is claimed as Example 153 in patent US20170050936A1 [2].
Database Links
GtoPdb PubChem SID 363894157
Search Google for chemical match using the InChIKey IDRGFNPZDVBSSE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IDRGFNPZDVBSSE
Search UniChem for chemical match using the InChIKey IDRGFNPZDVBSSE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IDRGFNPZDVBSSE