This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vactosertib
- DrugBank Accession Number
- DB15310
- Background
Vactosertib is under investigation in clinical trial NCT03724851 (Vactosertib in Combination With Pembrolizumab in Metastatic Colorectal or Gastric Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vactosertib (DB15310)
- Weight
- Average: 399.433
Monoisotopic: 399.160771771 - Chemical Formula
- C22H18FN7
- Synonyms
- Vactosertib
- External IDs
- TEW-7197
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Triazolopyridines
- Sub Class
- Not Available
- Direct Parent
- Triazolopyridines
- Alternative Parents
- Phenylalkylamines / Aniline and substituted anilines / 2,4,5-trisubstituted imidazoles / Secondary alkylarylamines / Methylpyridines / Fluorobenzenes / Aryl fluorides / Triazoles / Heteroaromatic compounds / Azacyclic compounds show 2 more
- Substituents
- 1,2,4-triazole / 2,4,5-trisubstituted-imidazole / Amine / Aniline or substituted anilines / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6T4O391P5Y
- CAS number
- 1352608-82-2
- InChI Key
- FJCDSQATIJKQKA-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
- IUPAC Name
- 2-fluoro-N-{[5-(6-methylpyridin-2-yl)-4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}-1H-imidazol-2-yl]methyl}aniline
- SMILES
- CC1=NC(=CC=C1)C1=C(N=C(CNC2=C(F)C=CC=C2)N1)C1=CN2N=CN=C2C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 32813335
- BindingDB
- 50015639
- ChEMBL
- CHEMBL3260567
- ZINC
- ZINC000113391423
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Advanced Urothelial Carcinoma / Urothelial Carcinoma Recurrent 1 2 Not Yet Recruiting Treatment Malignant Neoplasm of Stomach 1 2 Not Yet Recruiting Treatment Stomach Neoplasms 1 2 Recruiting Treatment Metastatic Malignant Neoplasm in the Liver / Stage IV Colorectal Cancer AJCC v8 / Stage IVA Colorectal Cancer AJCC v8 / Stage IVB Colorectal Cancer AJCC v8 / Stage IVC Colorectal Cancer AJCC v8 1 2 Recruiting Treatment Myeloproliferative Neoplasms (MPNs) 1 2 Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Treatment Advanced Stage Solid Tumors 1 1 Completed Treatment Myelodysplastic Syndromes (MDS) 1 1 Not Yet Recruiting Treatment Malignant Neoplasm of Pancreas 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 0.00936 mg/mL ALOGPS logP 3.88 ALOGPS logP 3.36 ChemAxon logS -4.6 ALOGPS pKa (Strongest Acidic) 10.77 ChemAxon pKa (Strongest Basic) 4.59 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 83.79 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 123.9 m3·mol-1 ChemAxon Polarizability 42.5 Å3 ChemAxon Number of Rings 5 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
- Not Available
Drug created at May 20, 2019 15:12 / Updated at February 21, 2021 18:55