This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tivantinib
- DrugBank Accession Number
- DB12200
- Background
Tivantinib has been investigated in Solid Tumors.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tivantinib (DB12200)
- Weight
- Average: 369.424
Monoisotopic: 369.147726864 - Chemical Formula
- C23H19N3O2
- Synonyms
- Tivantinib
- External IDs
- ARQ 197
- ARQ-197
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Tivantinib mediates its effects by inhibiting the activity of c-Met, a receptor tyrosine kinase that plays multiple key roles in human cancer, including cancer cell growth, survival, angiogenesis, invasion and metastasis. C-Met is abnormally activated in most cancers and is believed to control multiple signal transduction pathways involved in tumor growth and metastasis.
Target Actions Organism UHepatocyte growth factor receptor Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indoles and derivatives
- Sub Class
- Indoles
- Direct Parent
- 3-alkylindoles
- Alternative Parents
- Substituted pyrroles / Pyrrolidine-2-ones / Benzenoids / N-unsubstituted carboxylic acid imides / Heteroaromatic compounds / Dicarboximides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds show 3 more
- Substituents
- 2-pyrrolidone / 3-alkylindole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-unsubstituted / Dicarboximide show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PJ4H73IL17
- CAS number
- 905854-02-6
- InChI Key
- UCEQXRCJXIVODC-PMACEKPBSA-N
- InChI
- InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1
- IUPAC Name
- (3R,4R)-3-{1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraen-3-yl}-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
- SMILES
- O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11494412
- PubChem Substance
- 347828485
- ChemSpider
- 9669218
- BindingDB
- 50146168
- ChEBI
- 91398
- ChEMBL
- CHEMBL2103882
- ZINC
- ZINC000100016063
- PDBe Ligand
- TIV
- Wikipedia
- Tivantinib
- PDB Entries
- 5cb4
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Hepatocellular Carcinoma 1 3 Completed Treatment Liver Cancer 1 3 Terminated Treatment Non-Small Cell Lung Carcinoma (NSCLC) 1 3 Terminated Treatment Non-squamous Non-small-cell Lung Cancer (NSQ NSCLC) 1 2 Completed Treatment Adenocarcinoma, Prostate / Hormone Resistant Prostate Cancer / Recurrent Prostate Carcinoma / Stage IV Prostate Cancer 1 2 Completed Treatment Alveolar Soft Part Sarcoma (ASPS) / Clear Cell Sarcoma of Soft Tissue / Renal Cell Carcinoma 1 2 Completed Treatment Carcinoma Breast Stage IV / Estrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Triple Negative Breast Carcinoma 1 2 Completed Treatment Malignant Neoplasm of Stomach 1 2 Completed Treatment Metastatic Non-Small Cell Lung Cancer 1 2 Completed Treatment Neoplasms, Pancreatic 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00745 mg/mL ALOGPS logP 4.04 ALOGPS logP 3.27 ChemAxon logS -4.7 ALOGPS pKa (Strongest Acidic) 9.72 ChemAxon pKa (Strongest Basic) -8.6 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 66.89 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 106.6 m3·mol-1 ChemAxon Polarizability 39.51 Å3 ChemAxon Number of Rings 6 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein tyrosine kinase activity
- Specific Function
- Receptor tyrosine kinase that transduces signals from the extracellular matrix into the cytoplasm by binding to hepatocyte growth factor/HGF ligand. Regulates many physiological processes including...
- Gene Name
- MET
- Uniprot ID
- P08581
- Uniprot Name
- Hepatocyte growth factor receptor
- Molecular Weight
- 155540.035 Da
Drug created at October 20, 2016 21:35 / Updated at February 21, 2021 18:53