This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- WNT-974
- DrugBank Accession Number
- DB12561
- Background
WNT974 has been used in trials studying the treatment of Metastatic Colorectal Cancer and Squamous Cell Carcinoma, Head And Neck.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for WNT-974 (DB12561)
- Weight
- Average: 396.454
Monoisotopic: 396.169859288 - Chemical Formula
- C23H20N6O
- Synonyms
- Not Available
- External IDs
- LGK-974
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 bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Bipyridines and oligopyridines
- Direct Parent
- Bipyridines and oligopyridines
- Alternative Parents
- N-arylamides / Methylpyridines / Pyrazines / Imidolactams / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Aromatic heteromonocyclic compound / Azacycle / Bipyridine / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam / Methylpyridine show 9 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyrazines, pyridines, carboxamide, bipyridines (CHEBI:78030)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- U27F40013Q
- CAS number
- 1243244-14-5
- InChI Key
- XXYGTCZJJLTAGH-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
- IUPAC Name
- 2-{2',3-dimethyl-[2,4'-bipyridine]-5-yl}-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide
- SMILES
- CC1=CC(=CC=N1)C1=NC=C(CC(=O)NC2=CC=C(C=N2)C2=CN=CC=N2)C=C1C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 46926973
- PubChem Substance
- 347828784
- ChemSpider
- 30507712
- BindingDB
- 50133870
- ChEBI
- 78030
- ChEMBL
- CHEMBL3188386
- ZINC
- ZINC000095930187
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Treatment BRAF Mutant Colorectal Cancer / Breast Cancer (Triple Negative Breast Cancer (TNBC)) / Cervical Squamous Cell Cancer / Esophageal Squamous Cell Cancer / Head and Neck Cancers- Squamous Cell / Malignant Melanoma of Skin / Malignant Neoplasm of Pancreas / Squamous Cell Carcinoma of Lung 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 0.0108 mg/mL ALOGPS logP 2.12 ALOGPS logP 2.26 ChemAxon logS -4.6 ALOGPS pKa (Strongest Acidic) 11.94 ChemAxon pKa (Strongest Basic) 5.09 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 93.55 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 114.33 m3·mol-1 ChemAxon Polarizability 43.47 Å3 ChemAxon Number of Rings 4 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
Drug created at October 20, 2016 22:53 / Updated at June 12, 2020 16:53