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

General Information of Drug (ID: DR0344)
Drug Name
Clobetasol propionate
Synonyms
Clobestasol propionate; Clobetasol 17-propionate; Clobetasol propionate [USAN:JAN]; Clobex; Cormax; Dermovate; EINECS 246-634-3; Embeline; Embeline E; GR 2/925; MLS000028708; Olux; Olux-E; Temovate; Temovate E; UNII-779619577M; clobetasol 17-propanoate; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; 25122-46-7; C25H32ClFO5; CCI 4725; CGP 9555; CLOBETASOL PROPIONATE; Clobesol
Indication Psoriasis vulgaris [ICD11: EA90] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 467 Topological Polar Surface Area 80.7
Heavy Atom Count 32 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
32798
ChEBI ID
CHEBI:31414
CAS Number
25122-46-7
TTD Drug ID
D0H0YD
Formula
C25H32ClFO5
Canonical SMILES
CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl
InChI
1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
CBGUOGMQLZIXBE-XGQKBEPLSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
ABT-414 M6 PDM009173
1032
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Gut microbial environment
Clobetasol propionate M1 PDM014591 N. A. Oxidation - Hydroxylation from CyProduct 1 Human
Clobetasol propionate M10 PDM014598 N. A. Oxidation - Hydroxylation of penultimate aliphatic secondary carbon 1 Human
Clobetasol propionate M11 PDM014599 N. A. Oxidation - Epoxidation of alkene 1 Human
Clobetasol propionate M12 PDM014600 N. A. Oxidation - Hydroxylation of terminal methyl 1 Human
Clobetasol propionate M13 PDM014601 N. A. Other reaction - Terminal desaturation 1 Human
Clobetasol propionate M14 PDM014602 N. A. Oxidation - Hydroxylation of penultimate aliphatic tertiary carbon 1 Human
Clobetasol propionate M15 PDM014603 N. A. Oxidation - Hydroxylation of methyl carbon adjacent to aliphatic ring 1 Human
Clobetasol propionate M16 PDM014604 N. A. Oxidation - Hydroxylation of methyl carbon adjacent to aliphatic ring 1 Human
Clobetasol propionate M17 PDM014605 N. A. Oxidation - Hydroxylation of methyl carbon adjacent to aliphatic ring 1 Human
Clobetasol propionate M18 PDM014606 N. A. Reduction - Reduction of ketone to alcohol 1 Human
Clobetasol propionate M19 PDM014607 N. A. Reduction - Reduction of ketone to alcohol 1 Human
Clobetasol propionate M20 PDM014608 N. A. Oxidation - Hydroxylation of carbon adjacent to halogen 1 Human
Clobetasol propionate M5 PDM014423
4630419
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Gut microbial environment
Clobetasol propionate M6 PDM014594 N. A. Conjugation - GSH-conjugation of organohalide 1 Human
Clobetasol propionate M7 PDM014595 N. A. Hydroxylation - 2-Hydroxylation of sterol 1 Human
Clobetasol propionate M8 PDM014596 N. A. Hydroxylation - 4-Hydroxylation of sterol 1 Human
Clobetasol propionate M9 PDM014597 N. A. Oxidation - Oxidation of secondary alcohol to ketone 1 Human
Clobetasol propionate M2 PDM014592 N. A. Conjugation - 6-OH-Glucuronidation of sterol 2 Human
Clobetasol propionate M3 PDM014593 N. A. Conjugation - GSH-conjugation of organohalide 2 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Clobetasol Propionate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Cytochrome p450: a target for drug development for skin diseases. J Invest Dermatol. 2004 Sep;123(3):417-25.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.