Details of the Drug

General Information of Drug (ID: DM2QKOU)

• 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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.5
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H32O5
  IUPAC Name: 1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone
  Canonical SMILES: CC12CCC(CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O)O
  InChI: JDEYOKPHRJVBQO-FPXQBPFJSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 122135
  CAS Number: 9-75-3
  INTEDE ID: DR1955

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) Main DME	DEB3CV1	UD2B7_HUMAN	Substrate	[1]

References

• [1] Human uridine diphosphate-glucuronosyltransferase UGT2B7 conjugates mineralocorticoid and glucocorticoid metabolites. Endocrinology. 2003 Jun;144(6):2659-68.