mavelertinib   Click here for help

GtoPdb Ligand ID: 9765

Synonyms: compound 21 [PMID: 28287730] | PF-06747775 | PF06747775
Compound class: Synthetic organic
Comment: Mavelertinib (PF-06747775) is a third generation mutant EGFR receptor tyrosine kinase inhibitor that has potential antineoplastic activity [1]. It is an irreversible inhibitor with selectivity for mutant EGFRs carrying the four common mutants (exon 19 deletion (Del), L858R, and double mutants T790M/L858R and T790M/Del) over wild-type EGFRs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 115.02
Molecular weight 415.19
XLogP 2.31
No. Lipinski's rules broken 0
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Canonical SMILES C=CC(=O)NC1CN(CC1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2
Isomeric SMILES C=CC(=O)N[C@@H]1CN(C[C@H]1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2
InChI InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10660 mavelertinib
Synonyms Click here for help
compound 21 [PMID: 28287730] | PF-06747775 | PF06747775
Database Links Click here for help
CAS Registry No. 1776112-90-3 (source: WHO INN record)
GtoPdb PubChem SID 354702238
PubChem CID 91668194
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