rociletinib

Ligand id: 7966

Name: rociletinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 111.72
Molecular weight 555.22
XLogP 4.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
International Nonproprietary Names
INN number INN
9986 rociletinib
Synonyms
AVL-301 | CO-1686
Database Links
CAS Registry No. 1374640-70-6
PubChem CID 57335384
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Comments
Rociletinib is an orally bioavailable small molecule, irreversible inhibitor of epidermal growth factor receptor (EGFR) with potential antineoplastic activity [2]. This compound was designed to selectively target both the initial activating EGFR mutations and the T790M resistance mutation which confers acquired tumour resistance to first-generation inhibitors such as erlotinib and gefitinib.

Third-generation mutant EGFR inhibitors like rociletinib are being developed to circumvent dose-limiting WT EGFR-driven toxicities such as gastrointestinal toxicity and rash. The progress being made in developing advanced generation EGFR inhibitors is discussed by Yu and Riely (2013) [3] and Ou and Soo (2015) [1].