MOL-4239
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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
- MOL-4239
- DrugBank Accession Number
- DB16051
- Background
MOL-4239 is under investigation in clinical trial NCT01826201 (Paired Psoriasis Lesion, Comparative, Study to Evaluate MOL4239 in Psoriasis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 382.261
Monoisotopic: 381.047675 - Chemical Formula
- C19H16BrN3O
- Synonyms
- Not Available
- External IDs
- MOL-4239
- MOL4239
- WP-1220
- WP1220
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PTN9LJL6PY
- CAS number
- 1204306-34-2
- InChI Key
- IVAUEQVCSQZMGV-QIUCFAMLSA-N
- InChI
- InChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1
- IUPAC Name
- (2E,4E)-5-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
- SMILES
- C[C@H](NC(=O)C(=C\C=C\C1=CC=CC(Br)=N1)\C#N)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368295
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Psoriasis 1 1 Completed Treatment Cutaneous T-Cell Lymphoma/Mycosis Fungoides 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 0.00249 mg/mL ALOGPS logP 4.18 ALOGPS logP 4.02 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 12.4 Chemaxon pKa (Strongest Basic) 1.08 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 65.78 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.04 m3·mol-1 Chemaxon Polarizability 36.29 Å3 Chemaxon Number of Rings 2 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 splash10-01si-0697000000-b8f9c52f5fd3d20d5151 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-6489000000-b5b7dd1e57d6f4f74bbb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0bu0-0893000000-f685b1d9e38672d23d97 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0059-8692000000-929f19e8a6d88c4a422a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-056u-8931000000-722802f2a6afddf641a0 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9430000000-ef24b2757775d25d16fd 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 December 15, 2020 18:03 / Updated at December 20, 2020 03:35