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
Thumb
Weight
Average: 396.454
Monoisotopic: 396.169859288
Chemical Formula
C23H20N6O
Synonyms
Not Available
External IDs
  • LGK-974

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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
PubChem Compound
46926973
PubChem Substance
347828784
ChemSpider
30507712
BindingDB
50133870
ChEBI
78030
ChEMBL
CHEMBL3188386
ZINC
ZINC000095930187

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentBRAF 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 Lung1

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 Solubility0.0108 mg/mLALOGPS
logP2.12ALOGPS
logP2.26ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.94ChemAxon
pKa (Strongest Basic)5.09ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area93.55 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity114.33 m3·mol-1ChemAxon
Polarizability43.47 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:53 / Updated at June 12, 2020 16:53