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

General Information of Drug (ID: DR1064)
Drug Name
Methyltestosterone
Synonyms
Malestrone; Malogen; Masenone; Mastestona; Mesterone; Metandren; Metestone; Methitest; Metrone; Nabolin; Neo-Hombreol-M; Nu-man; Oraviron; Orchisterone-M; Oreton Methyl; Oreton-M; Steronyl; Synandrets; Synandrotabs; Syndren; Testhormone; Testora; Android; Android 10; Android 25; Android 5; Andrometh; Androsan; Androsten; Anertan; Dumogran; Estratest; Glosso-sterandryl; Homandren; Homandren, tablets; Hormale; M.T.Mucorettes; Testovis Depot; Testred; Virilon; methyltestosterone; 17-Methyltestosterone; 17alpha-Methyltestosterone; 58-18-4
Indication Breast cancer [ICD11: 2C60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 302.5 Topological Polar Surface Area 37.3
Heavy Atom Count 22 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
6010
PubChem SID
9407 ; 75080 ; 426178 ; 3139523 ; 7847474 ; 8153739 ; 12146104 ; 14776222 ; 14800583 ; 17388912 ; 24702281 ; 24870181 ; 24885900 ; 24885901 ; 24897147 ; 26719668 ; 29215107 ; 29225024 ; 46386739 ; 48425302 ; 49833618 ; 49869469 ; 50872805 ; 53790628 ; 56313568 ; 56463771 ; 57323112 ; 57650811 ; 57652183 ; 57652184 ; 91696883 ; 92308244 ; 99375903 ; 99443262 ; 103469610 ; 104253304 ; 104310860 ; 124403622 ; 124658874 ; 124757424 ; 124813316 ; 124890309 ; 125164228 ; 125309689 ; 126687249 ; 127933854 ; 134971513 ; 135262193 ; 137004245 ; 141744303
ChEBI ID
ChEBI:27436
CAS Number
58-18-4
TTD Drug ID
D0Z1XD
Formula
C20H30O2
Canonical SMILES
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C
InChI
1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
InChIKey
GCKMFJBGXUYNAG-HLXURNFRSA-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
17a-methyl-5a-androstane-3beta,16a,17beta_x0002_triol DM004368
44263720
Unclear 1 [4]
17a-methyl-5a-androstane-3beta,17beta-diol DM004365 N. A. Unclear 1 [4]
17a-methyl-5beta-androstane-3a,16a,17beta-triol DM004367 N. A. Unclear 1 [4]
17a-methyl-5beta-androstane-3a,17beta-diol DM004366
9883012
Unclear 1 [4]
17a-methyl-5z-androstane-3z,6z,16a,17b-tetrol DM004372 N. A. Unclear 1 [4]
17a-methyl-5z-androstane-6z,16a,17beta-triol-3one DM004371 N. A. Unclear 1 [4]
17a-methyl-5z-androstane-6z,17beta-diol-3one DM004369 N. A. Unclear 1 [4]
17a-methyl-5z-andros_x0002_tane-3z,6z,17beta-triol DM004370 N. A. Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004694 Methyltestosterone 17a-methyl-5a-androstane-3beta,17beta-diol Unclear Unclear [4]
MR004695 Methyltestosterone 17a-methyl-5beta-androstane-3a,17beta-diol Unclear Unclear [4]
MR004696 Methyltestosterone 17a-methyl-5beta-androstane-3a,16a,17beta-triol Unclear Unclear [4]
MR004697 Methyltestosterone 17a-methyl-5a-androstane-3beta,16a,17beta_x0002_triol Unclear Unclear [4]
MR004698 Methyltestosterone 17a-methyl-5z-androstane-6z,17beta-diol-3one Unclear Unclear [4]
MR004699 Methyltestosterone 17a-methyl-5z-andros_x0002_tane-3z,6z,17beta-triol Unclear Unclear [4]
MR004700 Methyltestosterone 17a-methyl-5z-androstane-6z,16a,17beta-triol-3one Unclear Unclear [4]
MR004701 Methyltestosterone 17a-methyl-5z-androstane-3z,6z,16a,17b-tetrol Unclear Unclear [4]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 2A1 (UGT2A1) DME0622 Homo sapiens
UD2A1_HUMAN
2.4.1.17
[3]
References
1 Methyltestosterone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolism of anabolic steroids by recombinant human cytochrome P450 enzymes. Gas chromatographic-mass spectrometric determination of metabolites. J Chromatogr B Biomed Sci Appl. 1999 Nov 26;735(1):73-83.
3 Hepatic expression patterns of aryl hydrocarbon receptor, pregnane X receptor, two cytochrome P450s and five phase II metabolism genes responsive to 17alpha-methyltestosterone in rare minnow Gobiocypris rarus. Environ Toxicol Pharmacol. 2014 May;37(3):1157-68.
4 Metabolism of methyltestosterone in the greyhound

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