mifanertinib   Click here for help

GtoPdb Ligand ID: 12380

Synonyms: compound Ie/Example 5 [WO2013135176A1] | mefatinib [1]
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN mifanertinib. The structure is claimed in patent WO2020011020A1 as the dimaleate salt (mefatinib). It is a covalent (irreversible), ATP-competitive inhibitor of the EGFR tyrosine kinase, and it is intended for antineoplastic potential [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 79.38
Molecular weight 465.12
XLogP 3.82
No. Lipinski's rules broken 0
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Canonical SMILES CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1OC(F)F)Nc1ccc(c(c1)Cl)F)C
Isomeric SMILES CN(C)C/C=C/C(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC(F)F
InChI InChI=1S/C21H19ClF3N5O2/c1-30(2)7-3-4-19(31)29-17-9-13-16(10-18(17)32-21(24)25)26-11-27-20(13)28-12-5-6-15(23)14(22)8-12/h3-6,8-11,21H,7H2,1-2H3,(H,29,31)(H,26,27,28)/b4-3+
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
12438 mifanertinib
Synonyms Click here for help
compound Ie/Example 5 [WO2013135176A1] | mefatinib [1]
Database Links Click here for help
CAS Registry No. 1639014-72-4 (source: WHO INN record)
GtoPdb PubChem SID 479821171
PubChem CID 71613550
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