This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tovorafenib
- DrugBank Accession Number
- DB15266
- Background
Tovorafenib (TAK-580) is under investigation in clinical trial NCT02723006 (Study to Evaluate the Safety, Tolerability, and Pharmacodynamics of Investigational Treatments in Combination With Standard of Care Immune Checkpoint Inhibitors in Participants With Advanced Melanoma).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tovorafenib (DB15266)
- Weight
- Average: 506.29
Monoisotopic: 505.0102337 - Chemical Formula
- C17H12Cl2F3N7O2S
- Synonyms
- 4-Pyrimidinecarboxamide, 6-amino-5-chloro-N-[(1R)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
- 6-Amino-5-chloro-N-((1R)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl)-4-pyrimidinecarboxamide
- External IDs
- BIIB-024
- BIIB024
- DAY-101
- DAY101
- MLN-2480
- TAK 580
- TAK-580
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
- Not Available
- 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ZN90E4027M
- CAS number
- 1096708-71-2
- InChI Key
- VWMJHAFYPMOMGF-ZCFIWIBFSA-N
- InChI
- InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1
- IUPAC Name
- 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
- SMILES
- C[C@@H](NC(=O)C1=C(Cl)C(N)=NC=N1)C1=NC=C(S1)C(=O)NC1=NC=C(Cl)C(=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 28637796
- BindingDB
- 209864
- ChEBI
- 167672
- ChEMBL
- CHEMBL3348923
- ZINC
- ZINC000043202464
- PDBe Ligand
- QOP
- PDB Entries
- 6v34
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Low Grade Glioma (LGG) 1 2 Not Yet Recruiting Treatment Recurrent Langerhans Cell Histiocytosis / Refractory Langerhans cell histiocytosis 1 2 Recruiting Treatment Advanced Solid Tumors / Low Grade Glioma (LGG) 1 2 Recruiting Treatment Childhood Craniopharyngioma / Craniopharyngioma / Recurrent Craniopharyngioma 1 1 Active Not Recruiting Treatment Low Grade Glioma (LGG) 1 1 Completed Treatment Advanced Nonhematologic Malignancies 1 1 Completed Treatment Melanoma / Metastatic Melanoma / Neoplasm / Solid Tumors 1 1 Terminated Other Melanoma 1 1, 2 Recruiting Treatment Melanoma / Solid Tumors 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 0.00194 mg/mL ALOGPS logP 3.15 ALOGPS logP 2.99 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 10.29 Chemaxon pKa (Strongest Basic) 2.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 135.78 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 114.04 m3·mol-1 Chemaxon Polarizability 43.95 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 15:06 / Updated at December 01, 2022 11:29