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

General Information of Drug (ID: DR0707)
Drug Name
Flumethasone
Synonyms
Flucorticin; Flumetasona; Flumetasona [INN-Spanish]; Flumetasone; Flumetasone [INN]; Flumetasonum; Flumetasonum [INN-Latin]; Flumethason; Flumethasonum; Fluvet; LR3CD8SX89; Methagon; RS 2177; RS-2177; U-10974; flumethasone; 2135-17-3; Anaprime; Aniprime; Cortexilar; Flucort (Veterinary); 6-alpha-Fluorodexamethasone; 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione; 6alpha,9alpha-Difluoro-16alpha-methylprednisolone; 6alpha-Fluorodexamethasone; CHEBI:34764; MLS000028618; NSC 54702; UNII-LR3CD8SX89
Indication Atopic dermatitis [ICD11: EA80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 410.5 Topological Polar Surface Area 94.8
Heavy Atom Count 29 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
16490
ChEBI ID
CHEBI:34764
CAS Number
2135-17-3
Formula
C22H28F2O5
Canonical SMILES
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
InChI
1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
WXURHACBFYSXBI-GQKYHHCASA-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
Flumethasone M1 PDM007176 N. A. Reduction - Reduction of carbonyl 1 Human
Flumethasone M2 PDM007177 N. A. Conjugation - 17-OH-Glucuronidation of sterol 1 Human
Flumethasone M3 PDM007178
20325454
Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Flumethasone M4 PDM007179 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 Flumethasone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule. BMC Pharmacol. 2010 Jul 16;10:8.

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