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

General Information of Drug (ID: DR1957)
Drug Name
Alpha-dihydroaldosterone
Synonyms 5-Dihydroaldosterone; 5alpha-Dihydroaldosterone; 5Alpha-dihydroaldosterone; 6005-92-1; AC1MI1I2; 18,21-Dihydroxy-11,18-epoxypregnane-3,20-dione; DTXSID00975481
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 362.5 Topological Polar Surface Area 83.8
Heavy Atom Count 26 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
3036614
CAS Number
6005-92-1
Formula
C21H30O5
Canonical SMILES
CC12CCC(=O)CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O
InChI
1S/C21H30O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11,13-15,17-19,22,25H,2-10H2,1H3/t11-,13+,14+,15-,17-,18-,19?,20+,21?/m1/s1
InChIKey
WCYSTKTYJRHHAV-RXKCSFKASA-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
3Alpha,5Alpha-TETRAHYDROALDOSTERONE DM001740
13847326
Reduction - Reduction 1 [1]
aldosterone Metabolite A1 DM019977
5118782
Unclear 2 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003064 Alpha-dihydroaldosterone 3Alpha,5Alpha-TETRAHYDROALDOSTERONE Reduction - Reduction Unclear [1]
MR003065 3Alpha,5Alpha-TETRAHYDROALDOSTERONE aldosterone Metabolite A1 Unclear Unclear [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Km = 0.00023 microM
UD2B7_HUMAN
[2]
References
1 Aldosterone metabolism in rat renal tissue in vitro. Formation of lipid soluble metabolites. Pflugers Arch. 1988 May;411(5):529-39.
2 Human uridine diphosphate-glucuronosyltransferase UGT2B7 conjugates mineralocorticoid and glucocorticoid metabolites. Endocrinology. 2003 Jun;144(6):2659-68.

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