WNT-974

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
WNT-974
Accession Number
DB12561
Type
Small Molecule
Groups
Investigational
Description

WNT974 has been used in trials studying the treatment of Metastatic Colorectal Cancer and Squamous Cell Carcinoma, Head And Neck.

Structure
Thumb
Synonyms
Not Available
External IDs
LGK-974
Categories
Not Available
UNII
U27F40013Q
CAS number
1243244-14-5
Weight
Average: 396.454
Monoisotopic: 396.169859288
Chemical Formula
C23H20N6O
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46926973
PubChem Substance
347828784
ChemSpider
30507712
BindingDB
50133870
ChEBI
78030
ChEMBL
CHEMBL3188386

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentMetastatic Colorectal Cancers1
2WithdrawnTreatmentSquamous Cell Carcinoma, Head And Neck1

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

Taxonomy

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
Bipyridine / N-arylamide / Methylpyridine / Pyrazine / Imidolactam / Heteroaromatic compound / Carboxamide group / Secondary carboxylic acid amide / Carboxylic acid derivative / Azacycle
show 9 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrazines, pyridines, carboxamide, bipyridines (CHEBI:78030)

Drug created on October 20, 2016 16:53 / Updated on June 04, 2019 07:39