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
ChemSpider
84455482
Predicted Properties
PropertyValueSource
Water Solubility0.0136 mg/mLALOGPS
logP4.92ALOGPS
logP5.26Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)12.78Chemaxon
pKa (Strongest Basic)8.87Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area113.85 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity171.52 m3·mol-1Chemaxon
Polarizability64.31 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon