U-0126
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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
- 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
- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key U-0126-EtOH Not Available 1173097-76-1 Not 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
- 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]
- External Links
- ChemSpider
- 2276356
- ChEBI
- 90693
- ChEMBL
- CHEMBL34704
- ZINC
- ZINC000100007148
- PDBe Ligand
- 5BM
- PDB Entries
- 3eqh
Clinical Trials
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 0.0332 mg/mL ALOGPS logP 2.26 ALOGPS logP 1.95 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) 3.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 151.66 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 130.89 m3·mol-1 Chemaxon Polarizability 38.63 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 19:14 / Updated at September 12, 2023 18:32