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

General Information of Drug (ID: DR2381)
Drug Name
Betamethasone valerate
Synonyms
Beta-val; Betaderm; Betatrex; Dermabet; Valnac; Betadexamethasone; Betafluorene; Betamamallet; Betametasona; Betametasona [INN-Spanish]; Betametasone; Betametasone [DCIT]; Betamethasone alcohol; Betamethasone cream; Betamethasonum; Betamethazone; Betapredol; Betasolon; Betnelan; Betsolan; Celestene; Celestone; Cidoten; Desacort-Beta; Flubenisolone; Hormezon; Methazon; Rinderon; Rinderon A; Valisone; Visubeta; beta-Methasone; beta-Methasone alcohol; Betamethasone; 378-44-9; 9alpha-Fluoro-16beta-methylprednisolone; Bebate; Becort; Bedifos; Betacorlan; Betacortril
Indication Psoriasis vulgaris [ICD11: EA90] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 476.6 Topological Polar Surface Area 101
Heavy Atom Count 34 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
16533
ChEBI ID
CHEBI:31277
CAS Number
2152-44-5
TTD Drug ID
D03SXE
Formula
C27H37FO6
Canonical SMILES
CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
InChI
1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
SNHRLVCMMWUAJD-SUYDQAKGSA-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
Betamethasone 21-valerate DM001400
92922
Unclear 1 [5]
Betamethasone valerate metabolite DM001397 N. A. Unclear 1 [6]
Betamethasone valerate metabolite DM001394 N. A. Unclear 1 [6]
Betamethasone DM001401
9782
Unclear 2 [5]
Betamethasone valerate metabolite DM001395 N. A. Unclear 2 [6]
Betamethasone valerate metabolite DM001398 N. A. Unclear 2 [6]
Betamethasone valerate metabolite DM001396 N. A. Unclear 2 [6]
Betamethasone valerate metabolite DM001396 N. A. Unclear 3 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014174 Betamethasone valerate Betamethasone valerate metabolite Unclear Unclear [6]
MR014177 Betamethasone valerate Betamethasone valerate metabolite Unclear Unclear [6]
MR014179 Betamethasone valerate Betamethasone 21-valerate Unclear Unclear [5]
MR014180 Betamethasone 21-valerate Betamethasone Unclear Se [5]
MR014175 Betamethasone valerate metabolite Betamethasone valerate metabolite Unclear Unclear [6]
MR014176 Betamethasone valerate metabolite Betamethasone valerate metabolite Unclear Unclear [6]
MR014178 Betamethasone valerate metabolite Betamethasone valerate metabolite Unclear Unclear [6]
MR014159 Betamethasone valerate metabolite Betamethasone valerate metabolite Unclear Unclear [6]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Corticosteroid 11-beta-dehydrogenase 2 (HSD11B2) DME0419 Homo sapiens
DHI2_HUMAN
1.1.1.B40
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1265 Escherichia coli Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1366 Bacteroides eggerthii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1415 Eggerthella lenta Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1446 Parabacteroides johnsonii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1467 Subdoligranulum variabile Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1470 Victivallis vadensis Not Available Not Available [4]
⏷ Show the Full List of 16  DME(s)
References
1 Betamethasone valerate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolism of synthetic steroids by the human placenta. Placenta. 2007 Jan;28(1):39-46.
3 Studies on Drug Interactions between CYP3A4 Inhibitors and Glucocorticoids.
4 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
5 Effects of corticosteroids on the growth and metabolism of fibroblasts cultured from human skin Br J Dermatol. 1978 Sep;99(3):253-61. doi: 10.1111/j.1365-2133.1978.tb01994.x.
6 The metabolism of betamethasone J Endocrinol. 1970 Mar;46(3):379-90. doi: 10.1677/joe.0.0460379.

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