Difamilast
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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
- Difamilast
- DrugBank Accession Number
- DB14987
- Background
Difamilast is under investigation in clinical trial NCT01702181 (A Safety Study to Evaluate the Use and Effectiveness of a Topical Ointment to Treat Adults With Atopic Dermatitis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 446.451
Monoisotopic: 446.165328207 - Chemical Formula
- C23H24F2N2O5
- Synonyms
- Difamilast
- External IDs
- OPA-15406
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T3U32GLJ0F
- CAS number
- 937782-05-3
- InChI Key
- VFBILHPIHUPBPZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
- IUPAC Name
- N-({2-[4-(difluoromethoxy)-3-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)-2-ethoxybenzamide
- SMILES
- CCOC1=CC=CC=C1C(=O)NCC1=COC(=N1)C1=CC=C(OC(F)F)C(OC(C)C)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59718482
- ChEMBL
- CHEMBL3989968
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Atopic Dermatitis 1 3 Completed Treatment Atopic Dermatitis 5 3 Recruiting Treatment Atopic Dermatitis 2 2 Completed Treatment Atopic Dermatitis 4 1 Completed Treatment Atopic Dermatitis 2
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 0.0227 mg/mL ALOGPS logP 4.68 ALOGPS logP 4.4 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 13.88 Chemaxon pKa (Strongest Basic) -0.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 82.82 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 123.25 m3·mol-1 Chemaxon Polarizability 45.61 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-003s-3209600000-c4e6f990a5323826d49a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0510900000-267aab76797b35c4ed3b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0622900000-6c02c0f831992a87c772 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01c1-2329300000-fe244d9e92b08ac06d17 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0077-5549200000-b649f3b64f4f0418fbfd Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0abc-0794300000-e5791bc0bacdf2a318ee 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 May 20, 2019 14:39 / Updated at February 21, 2021 18:55