CABOZANTINIB S-MALATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: Salt
UNII: DR7ST46X58
Parent Compound: CABOZANTINIB

Structure
InChI Key HFCFMRYTXDINDK-WNQIDUERSA-N
Smile COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30FN3O10
Molecular Weight 635.6
AlogP 5.54
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 98.78
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatocyte growth factor receptor inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 3.2-21.9 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thyroid Neoplasms 4 D013964 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Thyroid Neoplasms 4 D013964 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Nasopharyngeal Carcinoma 2 D000077274 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Adenocarcinoma, Follicular 2 D018263 ClinicalTrials
Pheochromocytoma 2 D010673 ClinicalTrials
Carcinoma, Small Cell 2 D018288 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Uveal Melanoma 2 D000098943 ClinicalTrials
Adrenal Cortex Neoplasms 2 D000306 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
19.84
General disorders and administration site conditions
14.22
Skin and subcutaneous tissue disorders
9.66
Nervous system disorders
8.37
Respiratory, thoracic and mediastinal disorders
6.02
Injury, poisoning and procedural complications
5.92
Vascular disorders
5.0
Investigations
4.9
Musculoskeletal and connective tissue disorders
4.76
Metabolism and nutrition disorders
4.16
Psychiatric disorders
3.28
Infections and infestations
3.28
Cardiac disorders
2.78
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.33

Cross References

Resources Reference
ChEBI 72319
ChEMBL CHEMBL2103868
FDA SRS DR7ST46X58
PubChem 25102846
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