NAV

Difamilast

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
3D
Similar Structures
Weight
Average: 446.451
Monoisotopic: 446.165328207
Chemical Formula
C23H24F2N2O5
Synonyms
  • Difamilast
External IDs
  • OPA-15406
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

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
ChemSpider
59718482
ChEMBL
CHEMBL3989968

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentAtopic Dermatitis1
3CompletedTreatmentAtopic Dermatitis5
3RecruitingTreatmentAtopic Dermatitis2
2CompletedTreatmentAtopic Dermatitis4
1CompletedTreatmentAtopic Dermatitis2

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 Solubility0.0227 mg/mLALOGPS
logP4.68ALOGPS
logP4.4Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)13.88Chemaxon
pKa (Strongest Basic)-0.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area82.82 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity123.25 m3·mol-1Chemaxon
Polarizability45.61 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-003s-3209600000-c4e6f990a5323826d49a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0510900000-267aab76797b35c4ed3b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0622900000-6c02c0f831992a87c772
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01c1-2329300000-fe244d9e92b08ac06d17
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0077-5549200000-b649f3b64f4f0418fbfd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abc-0794300000-e5791bc0bacdf2a318ee
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:39 / Updated at February 21, 2021 18:55