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

General Information of Drug (ID: DR1955)
Drug Name
Tetrahydroaldosterone
Synonyms
A-Tetrahydro-aldosterone; A-pregnan-20-one; 3Alpha,5beta-tetrahydroaldosterone; Tetrahydro Aldosterone; tetrahydroaldosterone; (3; (3)rihydroxy-5; 13489-75-3; 3,18,21-Trihydroxy-11,18-epoxypregnan-20-one; 3alpha,5alpha-Tetrahydroaldosterone; 3alpha,5beta-Tetrahydroaldosterone; A)-11,18-Epoxy-3,18,21-trihydroxypregnan-20-one; A,11; A,18,21-; A,18-Epoxy-3; A,5; AC1L3U1S; DTXSID10928807
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 364.5 Topological Polar Surface Area 87
Heavy Atom Count 26 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
122135
CAS Number
9-75-3
Formula
C21H32O5
Canonical SMILES
CC12CCC(CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O)O
InChI
1S/C21H32O5/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/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1
InChIKey
JDEYOKPHRJVBQO-FPXQBPFJSA-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
21-deoxytetrahydroaldosterone DM004165
165438
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004568 Tetrahydroaldosterone 21-deoxytetrahydroaldosterone Unclear Unclear [3]
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 = 0.00197 microM
UD2B7_HUMAN
[2]
References
1 Enhancement of dopamine release in vivo from the rat striatum by dialytic perfusion of 6R-L-erythro-5,6,7,8-tetrahydrobiopterin. J Neurochem. 1990 Apr;54(4):1391-7.
2 Human uridine diphosphate-glucuronosyltransferase UGT2B7 conjugates mineralocorticoid and glucocorticoid metabolites. Endocrinology. 2003 Jun;144(6):2659-68.
3 21-Deoxytetrahydroaldosterone excretion in primary hyperaldosteronism

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