Details of the Drug

General Information of Drug (ID: DMOL793)

Drug Name

Trifarotene

Synonyms

Trifarotene; UNII-0J8RN2W0HK; 895542-09-3; CD5789; 0J8RN2W0HK; Trifarotene [USAN:INN]; CD 5789; SCHEMBL381493; GTPL9962; CHEMBL3707313; DTXSID30237781; EX-A2704; DB12808; compound 15b [PMID: 29706423]; 3''-Tert-butyl-4'-(2-hydroxyethoxy)-4''-(pyrrolidin-1-yl)(1,1':3',1'')terphenyl-4-carboxylic acid; HY-100256; CS-0018407; 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid; [1,1':3',1''-Terphenyl]-4-carboxylic acid, 3''-(1,1-dimethylethyl)-4'-(2-hydroxyethoxy)-4''-(1-pyrrolidinyl)-

Indication

Disease Entry	ICD 11	Status	REF
Acne vulgaris	ED80	Approved	[1]

ATC Code

D10AD06: Trifarotene

D10AD: Retinoids for topical use in acne

D10A: ANTI-ACNE PREPARATIONS FOR TOPICAL USE

D10: ANTI-ACNE PREPARATIONS

D: DERMATOLOGICALS

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

459.6

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 0.075-0.104 mcgh/L [2]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 10 ng/L [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 2 - 9 hours [2]
Metabolism: The drug is metabolized via the liver [3]

Chemical Identifiers

Formula: C29H33NO4
IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid
Canonical SMILES: CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4
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)
InChIKey: MFBCDACCJCDGBA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11518241
ChEBI ID: CHEMBL3707313
CAS Number: 895542-09-3
UNII: 0J8RN2W0HK
DrugBank ID: DB12808
TTD ID: D06FOU
INTEDE ID: DR1640
ACDINA ID: D01504

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Retinoic acid receptor gamma (RARG)	TT1Q3IE	RARG_HUMAN	Agonist	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[4]
Cytochrome P450 2C9 (CYP2C9)_{Main DME}	DE5IED8	CP2C9_HUMAN	Substrate	[4]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[4]
Cytochrome P450 2C8 (CYP2C8)_{Main DME}	DES5XRU	CP2C8_HUMAN	Substrate	[4]

Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Acne vulgaris

ICD Disease Classification

ED80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Retinoic acid receptor gamma (RARG)	DTT	RARG	5.43E-04	-0.14	-0.37

Molecular Expression Atlas (MEA)

MEA Detail

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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Ethanol	E00023	702	Antimicrobial preservative; Penetration agent; Solvent
Medium-chain triglyceride	E00640	Not Available	Emollient; Lubricant; Surfactant
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Water	E00035	962	Solvent
Allantoin	E00006	204	Emollient
Cyclomethicone	E00203	10913	Emollient; Humectant; Viscosity-controlling agent
Phenoxyethanol	E00329	31236	Antimicrobial preservative


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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Trifarotene 0.005% cream	0.01%	Cream	Topical

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
2	FDA Approved Drugs: Aklief?
3	Kosoglou T, Statkevich P, Johnson-Levonas AO, Paolini JF, Bergman AJ, Alton KB: Ezetimibe: a review of its metabolism, pharmacokinetics and drug interactions. Clin Pharmacokinet. 2005;44(5):467-94.
4	FDA label of Trifarotene. The 2020 official website of the U.S. Food and Drug Administration.