CABOZANTINIB

Search structure
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01EX07
UNII: 1C39JW444G

Structure
InChI Key ONIQOQHATWINJY-UHFFFAOYSA-N
Smile COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
InChI
InChI=1S/C28H24FN3O5/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/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H24FN3O5
Molecular Weight 501.51
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

Primary Target
kinase insert domain receptor
MET proto-oncogene, receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 3-5000 - - 93-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 19-3110 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 11-11 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 1-1900 - - 26-99
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 4-42000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 2-1500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 178 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 14-14 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 0-7800 - - 101
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - - 21
Other cytosolic protein
- 190 - - -
Unclassified protein
- 889 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Thyroid Neoplasms 3 D013964 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Carcinoma, Medullary 3 D018276 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Thyroid Neoplasms 3 D013964 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Gastrointestinal Stromal Tumors 2 D046152 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Adenocarcinoma, Follicular 2 D018263 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Adrenal Cortex Neoplasms 2 D000306 ClinicalTrials
Carcinoid Tumor 2 D002276 ClinicalTrials
Retroviridae Infections 2 D012192 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Salivary Gland Neoplasms 2 D012468 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Urogenital Neoplasms 1 D014565 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 849217-68-1
ChEBI 72317
ChEMBL CHEMBL2105717
DrugBank DB08875
DrugCentral 4715
EPA CompTox DTXSID10233968
FDA SRS 1C39JW444G
Guide to Pharmacology 5887
PubChem 25102847
SureChEMBL SCHEMBL360795
ZINC ZINC000070466416
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