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
SMILES / InChI / InChIKey
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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
InChI Key JYIUNVOCEFIUIU-GHMZBOCLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide
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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