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

General Information of Drug (ID: DR3471)
Drug Name
EPIANDROSTERONE
Synonyms
EPIANDROSTERONE; 481-29-8; trans-Androsterone; Isoandrosterone; 3Beta-hydroxy-5alpha-androstan-17-one; 3beta-Hydroxyetioallocholan-17-one; epi-andosterone; 5alpha-Androstan-3beta-ol-17-one; iso-Androsterone; d-Epiandrosterone; UNII-8TR252Z538; 3-Epiandrosterone; (3beta,5alpha)-3-hydroxyandrostan-17-one; CHEMBL272195; 3beta-Hydroxy-androstan-17-one; CHEBI:541975; QGXBDMJGAMFCBF-LUJOEAJASA-N; Androsterone, epi-; NSC 93996; MFCD00064134; 8TR252Z538; ST072176; Androstan-17-one, 3-hydroxy-, (3b,5a)-; epi-Androsterone; C19H30O2
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 290.4 Topological Polar Surface Area 37.3
Heavy Atom Count 21 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
441302
ChEBI ID
CHEBI:541975
CAS Number
481-29-8
TTD Drug ID
D0O8FW
Formula
C19H30O2
Canonical SMILES
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
QGXBDMJGAMFCBF-LUJOEAJASA-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
5alpha-androstane-3beta,17beta-diol(3beta,17beta-AAD) DM015512
6710652
Unclear - Unclear 1 [2]
7beta-HO-EpiA DM016215
59302492
Unclear - Unclear 1 [2]
Androst-4-ene-3,17-dione(4-Adione) DM017583 N. A. Unclear - Unclear 1 [2]
EPIANDROSTERONE Metabolite M2 DM016224
59742779
Unclear - Unclear 1 [2]
EPIANDROSTERONE Metabolite M3 DM016078
44263753
Unclear - Unclear 1 [2]
7-Oxo-EpiA DM016079
44263760
Unclear - Unclear 2 [2]
7beta-HO-EpiA DM016215
59302492
Unclear - Unclear 2 [2]
EPIANDROSTERONE Metabolite M2 DM016224
59742779
Unclear - Unclear 2 [2]
Etiocholanolone DM004050
5880
Unclear - Unclear 2 [2]
Testosterone DM001963
6013
Unclear - Unclear 2 [2]
Testosterone cypionate M2 DM004565
6432604
Unclear - Unclear 2 [2]
5alpha-dihydrotestosterone DM002519
10635
Unclear - Unclear 3 [2]
7beta-HO-EpiA DM016215
59302492
Unclear - Unclear 3 [2]
EPIANDROSTERONE Metabolite M1 DM017584 N. A. Unclear - Unclear 3 [2]
5alpha-androstane-3beta,17beta-diol(3beta,17beta-AAD) DM015512
6710652
Reduction - 17beta-hydroxysteroid oxido-reduction 4 [2]
⏷ Show the Full List of 15  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009026 EPIANDROSTERONE Androst-4-ene-3,17-dione(4-Adione) Unclear - Unclear Unclear [2]
MR009037 EPIANDROSTERONE 7beta-HO-EpiA Unclear - Unclear Unclear [2]
MR009038 EPIANDROSTERONE EPIANDROSTERONE Metabolite M4 Unclear - Unclear HSD17B [2]
MR009039 EPIANDROSTERONE EPIANDROSTERONE Metabolite M3 Unclear - Unclear CYP3A4 ... [2]
MR009040 EPIANDROSTERONE EPIANDROSTERONE Metabolite M2 Unclear - Unclear Hsd3b1 [2]
MR009027 Androst-4-ene-3,17-dione(4-Adione) Testosterone Unclear - Unclear Unclear [2]
MR009030 Androst-4-ene-3,17-dione(4-Adione) 7alpha-OH-EpiA Unclear - Unclear Unclear [2]
MR009032 Androst-4-ene-3,17-dione(4-Adione) 7-Oxo-EpiA Unclear - Unclear HSD11B1 [2]
MR009034 Androst-4-ene-3,17-dione(4-Adione) 7beta-HO-EpiA Unclear - Unclear Unclear [2]
MR009035 Androst-4-ene-3,17-dione(4-Adione) Etiocholanolone Unclear - Unclear Unclear [2]
MR009036 Androst-4-ene-3,17-dione(4-Adione) EPIANDROSTERONE Metabolite M2 Unclear - Unclear Unclear [2]
MR009033 7-Oxo-EpiA 7beta-HO-EpiA Unclear - Unclear Unclear [2]
MR009031 7alpha-OH-EpiA EPIANDROSTERONE Metabolite M1 Unclear - Unclear CYP7B1 ... [2]
MR009028 Testosterone 5alpha-dihydrotestosterone Unclear - Unclear Unclear [2]
MR009029 5alpha-dihydrotestosterone 5alpha-androstane-3beta,17beta-diol(3beta,17beta-AAD) Reduction - 17beta-hydroxysteroid oxido-reduction Unclear [2]
⏷ Show the Full List of 15 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
17beta-hydroxysteroid dehydrogenase (HSD17B) DMEN276 Homo sapiens Not Available Not Available [1]
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) DME0199 Homo sapiens
DHI1_HUMAN
1.1.1.146
[1]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[1]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[1]
Cytochrome P450 7B1 (CYP7B1) DME0608 Homo sapiens
CP7B1_HUMAN
1.14.14.29
[1]
References
1 Human liver S9 fractions: metabolism of dehydroepiandrosterone, epiandrosterone, and related 7-hydroxylated derivatives
2 Oxidative metabolism of dehydroepiandrosterone (DHEA) and biologically active oxygenated metabolites of DHEA and epiandrosterone (EpiA)--recent reports

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