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

General Information of Drug (ID: DR5497)
Drug Name
Cortisone
Synonyms 11-dehydro-17-hydroxycorticosterone; 17-hydroxy-11-dehydrocorticosterone
Indication Atopic dermatitis [ICD11: EA80] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 360.4 Topological Polar Surface Area 91.7
Heavy Atom Count 26 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
222786
ChEBI ID
CHEBI:16962
CAS Number
53-06-5
TTD Drug ID
D0IX6I
Formula
C21H28O5
Canonical SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-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
Cortisol DM004052
5754
Unclear - Unclear 1 [2]
Tetrahydrocortisone DM004771
5866
Unclear - Unclear 1 [2]
Allo\tetrahydrocortisol (allo\THF) DM015420
4383683
Unclear - Unclear 2 [2]
Tetrahydrocortisol (THF) DM014890
5864
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010825 Cortisone Cortisol Unclear - Unclear Unclear [2]
MR010828 Cortisone Tetrahydrocortisone(THE) Unclear - Unclear Unclear [2]
MR010826 Cortisol Tetrahydrocortisol (THF) Unclear - Unclear Unclear [2]
MR010827 Cortisol Allo\tetrahydrocortisol (allo\THF) Unclear - Unclear Unclear [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5171).
2 Long-term magnesium supplementation improves glucocorticoid metabolism: A post-hoc analysis of an intervention trial

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