NAV

Tovorafenib

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
3D
Similar Structures
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
  • 6-amino-5-chloro-N-[1R)-1-[5-[[[5-hloro-4-(trifluoromethyl)-2pyridinyl]amino]carbonyl]-2-thiazoyl]ethyl]-4-pyrimdinecarboxamide
External IDs
  • BIIB-024
  • BIIB024
  • DAY-101
  • DAY101
  • MLN-2480
  • TAK 580
  • TAK-580

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
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
ChemSpider
28637796
BindingDB
209864
ChEBI
167672
ChEMBL
CHEMBL3348923
ZINC
ZINC000043202464
PDBe Ligand
QOP
PDB Entries
6v34 / 8f7o

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentLow-Grade Glioma1
2Not Yet RecruitingTreatmentRecurrent Langerhans Cell Histiocytosis / Refractory Langerhans cell histiocytosis1
2RecruitingTreatmentAdvanced Solid Tumors / Low-Grade Glioma1
2RecruitingTreatmentChildhood Craniopharyngioma / Craniopharyngioma / Recurrent Craniopharyngioma1
2RecruitingTreatmentRecurrent Langerhans Cell Histiocytosis / Refractory Langerhans cell histiocytosis1
1Active Not RecruitingTreatmentLow-Grade Glioma1
1CompletedTreatmentAdvanced Nonhematologic Malignancies1
1CompletedTreatmentMelanoma / Metastatic Melanoma / Neoplasm / Solid Tumors1
1TerminatedOtherMelanoma1
1, 2RecruitingTreatmentBladder Cancer / BRAF Fusion / BRAF Gene Fusion / Colorectal Cancer / CRAF Fusion / CRAF Gene Amplification / CRAF Gene Fusion / MAP Kinase Family Gene Mutation / MEK Mutation / Melanoma / Non-Small Cell Adenocarcinoma / Non-Small Cell Lung Cancer (NSCLC) / Pancreatic Acinar Carcinoma / Pilocytic Astrocytoma / Pilocytic Astrocytoma, Adult / RAF Mutation / RAF1 Fusion / RAF1 Gene Amplification / RAF1 Gene Fusion / RAS Mutation / Solid Tumors / Spitzoid Malignant Melanoma / Spitzoid melanoma / Thyroid Cancer, Papillary / Transitional Cell Carcinoma of the Bladder1

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
PropertyValueSource
Water Solubility0.00194 mg/mLALOGPS
logP3.15ALOGPS
logP2.99Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)10.29Chemaxon
pKa (Strongest Basic)2.29Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area135.78 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity114.04 m3·mol-1Chemaxon
Polarizability43.95 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 15:06 / Updated at July 18, 2023 22:57