Mobocertinib succinateProduct ingredient for Mobocertinib
- Name
- Mobocertinib succinate
- Drug Entry
- Mobocertinib
Mobocertinib is a kinase inhibitor targeted against human epidermal growth factor receptor (EGFR). It is used specifically in the treatment of non-small cell lung cancer (NSCLC) caused by exon 20 insertion mutations in the EGFR gene,8 which are typically associated with a poorer prognosis (as compared to "classical" EGFR mutants causing NSCLC) and are associated with resistance to standard targeted EGFR inhibitors.6 Mobocertinib appears to be an effective means of treating this otherwise treatment-resistant NSCLC, exerting an inhibitory effect on EGFR exon 20 insertion mutant variants at concentrations 1.5- to 10-fold lower than those required to inhibit wild-type EGFR.7
Mobocertinib, under the brand name Exkivity (Takeda Pharmaceuticals Inc.), was granted accelerated approval by the FDA in September 2021 for the treatment of locally advanced or metastatic NSCLC in patients with EGFR exon 20 insertion mutations who have failed previous therapies.8
- Accession Number
- DBSALT003192
- Structure
- Synonyms
- Not Available
- External IDs
- AP-32788 succinate / AP32788 succinate / TAK-788 succinate
- UNII
- 53QIA92ZEE
- CAS Number
- 2389149-74-8
- Weight
- Average: 703.797
Monoisotopic: 703.332961437 - Chemical Formula
- C36H45N7O8
- InChI Key
- YXYAEUMTJQGKHS-UHFFFAOYSA-N
- InChI
- InChI=1S/C32H39N7O4.C4H6O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26;5-3(6)1-2-4(7)8/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36);1-2H2,(H,5,6)(H,7,8)
- IUPAC Name
- butanedioic acid; propan-2-yl 2-[(4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxy-5-(prop-2-enamido)phenyl)amino]-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
- SMILES
- OC(=O)CCC(O)=O.COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
- External Links
- ChemSpider
- 84455482
- Predicted Properties
Property Value Source Water Solubility 0.0136 mg/mL ALOGPS logP 4.92 ALOGPS logP 5.26 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 12.78 Chemaxon pKa (Strongest Basic) 8.87 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 113.85 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 171.52 m3·mol-1 Chemaxon Polarizability 64.31 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon