U-0126

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

Identification

Generic Name
U-0126
DrugBank Accession Number
DB17060
Background

U-0126 is a direct inhibitor of the mitogen-activated protein-kinase kinase family members, MEK-1 and MEK-2.1

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 380.49
Monoisotopic: 380.087786887
Chemical Formula
C18H16N6S2
Synonyms
  • 1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
  • Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2z,3z)-
External IDs
  • EDV 2209
  • EDV-2209
  • EDV2209
  • FT-1069-1
  • U-0126
  • U0126

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
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
U-0126-EtOHNot Available1173097-76-1Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8027P94HLL
CAS number
218601-62-8
InChI Key
DVEXZJFMOKTQEZ-JYFOCSDGSA-N
InChI
InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+
IUPAC Name
(2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile
SMILES
N\C(SC1=CC=CC=C1N)=C(\C#N)/C(/C#N)=C(\N)SC1=C(N)C=CC=C1

References

General References
  1. Favata MF, Horiuchi KY, Manos EJ, Daulerio AJ, Stradley DA, Feeser WS, Van Dyk DE, Pitts WJ, Earl RA, Hobbs F, Copeland RA, Magolda RL, Scherle PA, Trzaskos JM: Identification of a novel inhibitor of mitogen-activated protein kinase kinase. J Biol Chem. 1998 Jul 17;273(29):18623-32. doi: 10.1074/jbc.273.29.18623. [Article]
ChemSpider
2276356
ChEBI
90693
ChEMBL
CHEMBL34704
ZINC
ZINC000100007148
PDBe Ligand
5BM
PDB Entries
3eqh

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0332 mg/mLALOGPS
logP2.26ALOGPS
logP1.95Chemaxon
logS-4.1ALOGPS
pKa (Strongest Basic)3.23Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area151.66 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity130.89 m3·mol-1Chemaxon
Polarizability38.63 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 19:14 / Updated at September 12, 2023 18:32