CAPMATINIB

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX17
UNII: TY34L4F9OZ

Structure
InChI Key LIOLIMKSCNQPLV-UHFFFAOYSA-N
Smile CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChI
InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H17FN6O
Molecular Weight 412.43
AlogP 3.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 85.07
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatocyte growth factor receptor inhibitor Other Other Other
Primary Target
MET proto-oncogene, receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 0-0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1029712-80-8
ChEMBL CHEMBL3188267
DrugBank DB11791
EPA CompTox DTXSID90145595
FDA SRS TY34L4F9OZ
Guide to Pharmacology 7904
PubChem 25145656
SureChEMBL SCHEMBL1426819
ZINC ZINC000043195321
CONTENTS