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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

459.6

Topological Polar Surface Area (xlogp)

6.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
CAS Number: 895542-09-3
DrugBank ID: DB12808
TTD ID: D06FOU
INTEDE ID: DR1640
ACDINA ID: D01504

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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Jump to Detail Molecular Expression Atlas of This Drug

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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⏷ Show the Full List of 7 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

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

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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