Cabozantinib malateProduct ingredient for Cabozantinib
- Name
- Cabozantinib malate
- Drug Entry
- Cabozantinib
Cabozantinib was first approved in 2012 and is a non-specific tyrosine kinase inhibitor. It was initially approved in the US under the brand name Cometriq, which is indicated for the treatment of metastatic medullary thyroid cancer.6 In 2016, a capsule formulation (Cabometyx) was approved for the treatment of advanced renal cell carcinoma, and this same formulation gained additional approval in both the US and Canada in 2019 for the treatment of hepatocellular carcinoma in previously treated patients.7,8
- Accession Number
- DBSALT001762
- Structure
Structure for Cabozantinib malate (DBSALT001762)
- Synonyms
- cabozantinib (S)-malate / cabozantinib L-malate / cabozantinib s-malate
- UNII
- DR7ST46X58
- CAS Number
- 1140909-48-3
- Weight
- Average: 635.601
Monoisotopic: 635.191522341 - Chemical Formula
- C32H30FN3O10
- InChI Key
- HFCFMRYTXDINDK-WNQIDUERSA-N
- InChI
- InChI=1S/C28H24FN3O5.C4H6O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
- IUPAC Name
- (2S)-2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
- SMILES
- O[C@@H](CC(O)=O)C(O)=O.COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2
- External Links
- KEGG Drug
- D10095
- ChemSpider
- 25948203
- ChEBI
- 72319
- ChEMBL
- CHEMBL2103868
- Predicted Properties
Property Value Source Water Solubility 0.00199 mg/mL ALOGPS logP 4.01 ALOGPS logP 4.66 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 13.46 Chemaxon pKa (Strongest Basic) 5.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 98.78 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 136.12 m3·mol-1 Chemaxon Polarizability 51.49 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon