Trifarotene

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

Identification

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Name
Trifarotene
Accession Number
DB12808
Type
Small Molecule
Groups
Investigational
Description

Trifarotene has been used in trials studying the treatment of Acne Vulgaris.

Structure
Thumb
Synonyms
Not Available
External IDs
CD-5789 / CD5789
Categories
UNII
0J8RN2W0HK
CAS number
895542-09-3
Weight
Average: 459.586
Monoisotopic: 459.240958547
Chemical Formula
C29H33NO4
InChI Key
MFBCDACCJCDGBA-UHFFFAOYSA-N
InChI
InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
IUPAC Name
3'-[3-tert-butyl-4-(pyrrolidin-1-yl)phenyl]-4'-(2-hydroxyethoxy)-[1,1'-biphenyl]-4-carboxylic acid
SMILES
CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
11518241
PubChem Substance
347828982
ChemSpider
9693029
ChEMBL
CHEMBL3707313
ATC Codes
D10AD06 — Trifarotene

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignant Lymphomas1
2CompletedTreatmentAcne Vulgaris1
2Not Yet RecruitingTreatmentLamellar Ichthyosis1
3Active Not RecruitingTreatmentAcne Vulgaris1
3CompletedTreatmentAcne Vulgaris2

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 Solubility0.000945 mg/mLALOGPS
logP6.12ALOGPS
logP5.15ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.97ChemAxon
pKa (Strongest Basic)4.75ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area70 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity136.98 m3·mol-1ChemAxon
Polarizability53.11 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Terphenyls
Direct Parent
M-terphenyls
Alternative Parents
Biphenyls and derivatives / Phenylpyrrolidines / Benzoic acids / Phenylpropanes / Aniline and substituted anilines / Benzoyl derivatives / Dialkylarylamines / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers
show 7 more
Substituents
Meta-terphenyl / Biphenyl / 1-phenylpyrrolidine / Benzoic acid or derivatives / Benzoic acid / Phenylpropane / Aniline or substituted anilines / Dialkylarylamine / Benzoyl / Phenoxy compound
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:23 / Updated on September 02, 2019 19:47