regorafenib indications/contra

Stem definitionDrug idCAS RN
Raf (Rapidely Accelerated Fibrosarcoma) kinase inhibitors 4654 755037-03-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • regorafenib monohydrate
  • Stivarga
  • regorafenib
  • regorafenib hydrate
  • anhydrous regorafenib
  • BAY 73-4506
a small molecule inhibitor of multiple membrane-bound and intracellular kinases involved in normal cellular functions and in pathologic processes such as oncogenesis, tumor angiogenesis, and maintenance of the tumor microenvironment
  • Molecular weight: 482.82
  • Formula: C21H15ClF4N4O3
  • CLOGP: 5.19
  • LIPINSKI: 1
  • HAC: 3
  • HDO: 3
  • TPSA: 92.35
  • ALOGS: -5.67
  • RINGS: 3
  • ROTB: 6

Drug dosage:

DoseUnitRoute
160 mg O

Approvals:

DateAgencyCompanyOrphan
Aug. 26, 2013 EMA
Sept. 27, 2012 FDA BAYER HLTHCARE

Pharmacologic Action:

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SourceCodeDescription
ATC L01XE21 ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Protein kinase inhibitors
CHEBI has role CHEBI:35610 antineoplastic agent
FDA EPC N0000175605 Kinase Inhibitor
FDA MoA N0000175076 Protein Kinase Inhibitors
FDA MoA N0000185504 Cytochrome P450 2C9 Inhibitors

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Liver cell carcinoma indication 109841003
Metastasis from malignant tumor of colon indication 314998002
Gastrointestinal stromal tumor indication 420120006 DOID:9253

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Vascular endothelial growth factor receptor 2 Kinase INHIBITOR IC50 7.90 IUPHAR CHEMBL
Serine/threonine-protein kinase B-raf Kinase INHIBITOR IC50 7.55 CHEMBL CHEMBL
Bifunctional epoxide hydrolase 2 Enzyme INHIBITOR IC50 9.30 CHEMBL
Glycine receptor subunit alpha-1 Ion channel EC50 5.74 CHEMBL

External reference:

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IDSource
4031721 VANDF
N0000185731 NDFRT
014656 NDDF
1312397 RXNORM
28887 MMSL
d07913 MMSL
702804006 SNOMEDCT_US
703808002 SNOMEDCT_US
DB08896 DRUGBANK_ID
C559147 MESH_SUPPLEMENTAL_RECORD_UI
1019206-88-2 SECONDARY_CAS_RN
D10137 KEGG_DRUG
9026 INN_ID
24T2A1DOYB UNII
CHEBI:68647 CHEBI
11167602 PUBCHEM_CID
5891 IUPHAR_LIGAND_ID
CHEMBL1946170 ChEMBL_ID
C3537697 UMLSCUI

Pharmaceutical products:

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ProductCategoryIngredientsNDCFormQuantityRoute MarketingLabel
Stivarga HUMAN PRESCRIPTION DRUG LABEL 1 50419-171 TABLET, FILM COATED 40 mg ORAL NDA 19 sections