WNT-974
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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
- Weight
- Average: 396.454
Monoisotopic: 396.169859288 - Chemical Formula
- C23H20N6O
- Synonyms
- (2,4'-bipyridine)-5-acetamide, 2',3-dimethyl-N-(5-(2-pyrazinyl)-2-pyridinyl)-
- External IDs
- LGK-974
- LGK974
- NVP-LGK974
- WNT 974
- WNT974
Pharmacology
- Indication
Not Available
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- 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. View sample adverse effects data in our new Data Library!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
- PDBe Ligand
- O50
- PDB Entries
- 7urc / 7urd
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Withdrawn Treatment Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1 1 Active Not Recruiting Treatment BRAF Mutant Colorectal Cancer / Cervical Squamous Cell Carcinoma / Esophageal Squamous Cell Cancer / Melanoma / Pancreatic Cancer / Squamous Cell Cancers of the Head and Neck / Squamous Cell Lung Cancer / Triple-Negative Breast Cancer 1 1, 2 Completed Treatment Metastatic Colorectal Cancer (CRC) 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 splash10-0002-0009000000-001ef463fb386d4a98fc Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-0109000000-7d932dc62cee50bd781a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-93fe4c6379f72e8b3284 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0109000000-e21e4089ac591ac79533 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00gm-0924000000-16b33e3e24b960199b93 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00kb-0901000000-3c2508530c1aa2716986 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.5481 predictedDeepCCS 1.0 (2019) [M+H]+ 195.90611 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.44449 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:53 / Updated at February 04, 2023 17:06