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

General Information of Drug (ID: DR0345)
Drug Name
GTPL-9088
Synonyms
Clobetasona; Clobetasona [INN-Spanish]; Clobetasone; Clobetasone (INN); Clobetasone [INN:BAN]; Clobetasonum; Clobetasonum [INN-Latin]; LT69WY1J6D; SCHEMBL3581; XXIFVOHLGBURIG-OZCCCYNHSA-N; ZINC5752185; (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione; 21-Chlor-9-fluor-17-hydroxy-16beta-methyl-1,4-pregnadien-3,11,20-trion; 54063-32-0; AC1L2G2H; API0002061; D07717; DB13158; EINECS 258-953-5; GTPL9088; UNII-LT69WY1J6D
Indication Atopic dermatitis [ICD11: EA80] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 408.9 Topological Polar Surface Area 71.4
Heavy Atom Count 28 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
71387
CAS Number
54063-32-0
Formula
C22H26ClFO4
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C
InChI
1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1
InChIKey
XXIFVOHLGBURIG-OZCCCYNHSA-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
GTPL-9088 M1 PDM007430 N. A. Reduction - Reduction of carbonyl 1 Human
GTPL-9088 M2 PDM007431 N. A. Conjugation - GSH-conjugation of organohalide 1 Human
GTPL-9088 M3 PDM007432 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
GTPL-9088 M4 PDM007433 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
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 ClinicalTrials.gov (NCT01567995) Randomised, Double-blind, Placebo-controlled Study of Topical Clobetasone Butyrate 0.05% Cream in Subjects With Eczema for Two Weeks to Evaluate the Efficacy and Safety.
2 Product Information of Eumovate.

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