Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1640)
Drug Name
Trifarotene
Synonyms
Trifarotene; Trifarotene (USAN/INN); Trifarotene [USAN:INN]; CD 5789; CD5789; SCHEMBL381493; compound 15b [PMID: 29706423]; 0J8RN2W0HK; 3''-Tert-butyl-4'-(2-hydroxyethoxy)-4''-(pyrrolidin-1-yl)(1,1':3',1'')terphenyl-4-carboxylic acid; 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid; 895542-09-3; CHEMBL3707313; CS-0018407; D11225; DB12808; DTXSID30237781; EX-A2704; GTPL9962; HY-100256; UNII-0J8RN2W0HK
Indication Acne vulgaris [ICD11: ED80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 459.6 Topological Polar Surface Area 70
Heavy Atom Count 34 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
11518241
PubChem SID
16620175 ; 23646324 ; 79657850 ; 141152560 ; 163642844 ; 198936619 ; 226712396 ; 247778990
CAS Number
895542-09-3
TTD Drug ID
D06FOU
Formula
C29H33NO4
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
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear . [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002452 Trifarotene . Unclear CYP3A4 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Trifarotene was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Trifarotene. The 2020 official website of the U.S. Food and Drug Administration.
3 LABEL:KLIEF- trifarotene cream

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