abivertinib

Ligand id: 10044

Name: abivertinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 98.41
Molecular weight 487.21
XLogP 4.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
International Nonproprietary Names
INN number INN
10807 abivertinib
Synonyms
AC0010 | AC0010MA | avitinib (superceded INN)
Comments
Abivertinib (AC0010) is an orally active, irreversible EGFR inhibitor that selectively targets mutated EGFRs, and was designed to overcome T790M-induced resistance in tumours [2]. It may also inhibit BTK, thus offering extended clinical utility [3]. We show the structure for the free base form of the compound.
Database Links
CAS Registry No. 1557267-42-1 (source: WHO INN record)
GtoPdb PubChem SID 375973232
PubChem CID 72734520
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