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

General Information of Drug (ID: DR2374)
Drug Name
LS-187709
Synonyms BETAMETHASONE ACETATE; Betamethasone acetate [USAN:JAN]; EINECS 213-578-6; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(acetyloxy)-, (11beta,16beta)-
Indication Psoriasis vulgaris [ICD11: EA90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 434.5 Topological Polar Surface Area 101
Heavy Atom Count 31 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
13802
Formula
C24H31FO6
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C
InChI
1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17?,18-,19-,21?,22?,23-,24-/m0/s1
InChIKey
AKUJBENLRBOFTD-QQLPIYHSSA-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 [2]
LS-187709 Metabolite DM003302 N. A. Unclear 1 [4]
Betamethasone DM001401
9782
Unclear 2 [2]
LS-187709 Metabolite DM003307 N. A. Unclear 2 [4]
LS-187709 Metabolite DM003305 N. A. Unclear 2 [4]
LS-187709 Metabolite DM003303 N. A. Unclear 2 [4]
LS-187709 Metabolite DM003304 N. A. Unclear 3 [4]
LS-187709 Metabolite DM003303 N. A. Unclear 3 [4]
LS-187709 Metabolite DM003306 N. A. Conjugation - Acetylation 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003737 LS-187709 LS-187709 Metabolite Unclear Unclear [4]
MR003745 LS-187709 Betamethasone 21-valerate Unclear Se [2]
MR003746 Betamethasone 21-valerate Betamethasone Unclear Unclear [2]
MR003738 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
MR003740 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
MR003743 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
MR003739 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
MR003741 LS-187709 Metabolite LS-187709 Metabolite Conjugation - Acetylation Unclear [4]
MR003742 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
MR003744 LS-187709 Metabolite LS-187709 Metabolite Unclear Unclear [4]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Skin esterase (Se) DMEN079 . Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1364 Bacteroides coprophilus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1379 Bacteroides stercoris Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1446 Parabacteroides johnsonii Not Available Not Available [3]
⏷ Show the Full List of 10  DME(s)
References
1 ClinicalTrials.gov (NCT01222247) Antenatal Late Preterm Steroids (ALPS): A Randomized Placebo-Controlled Trial
2 Simultaneous diffusion and metabolism of betamethasone 17-valerate in the living skin equivalent
3 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
4 The metabolism of betamethasone J Endocrinol. 1970 Mar;46(3):379-90. doi: 10.1677/joe.0.0460379.

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