HMPL-309

Ligand id: 9929

Name: HMPL-309

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 81.56
Molecular weight 444.23
XLogP 1.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxy-4,4a-dihydroquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
Synonyms
HMPL309 | xiliertinib (proposed INN)
Comments
HMPL-309 (theliatinib) is an ATP-competitive EGFR tyrosine kinase inhibitor that was developed for anticancer potential [1].
Theliatinib appears to be a 'pseudo' INN, that uses the -tinib INN stem for tyrosine kinase inhibitors, but was not submitted to the World Health Organisation for ratification. A genuine application has been made for the INN xiliertinib to represent this molecule (in INN Proposed list 121 of August 2019).
Database Links
CAS Registry No. 1353644-70-8 (source: WHO INN record)
GtoPdb PubChem SID 363894223
PubChem CID 132992142
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