Details of the Drug

General Information of Drug (ID: DMWLFGO)

Drug Name

Methyltestosterone

Synonyms

Android (TN)

Indication

Disease Entry	ICD 11	Status	REF
Advanced cancer	2A00-2F9Z	Approved	[1]
Hormone deficiency	5A61.1	Approved	[1]
Hot flushes	GA30	Approved	[1]
Hypogonadism	5A61.0	Approved	[1]
Hypogonadotropic hypogonadism	N.A.	Approved	[1]
Multiple sclerosis	8A40	Approved	[1]
Solid tumour/cancer	2A00-2F9Z	Approved	[2]
Hypogonadism, male	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

302.5

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

ADMET Property

Elimination: The elimination of drug is 90% via urine and 10% via feces []
Half-life: The concentration or amount of drug in body reduced by one-half in 6 - 8 hours [3]
Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C20H30O2
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI: 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

Cross-matching ID

PubChem CID: 6010
ChEBI ID: CHEBI:27436
CAS Number: 58-18-4
DrugBank ID: DB06710
TTD ID: D0Z1XD
INTEDE ID: DR1064
ACDINA ID: D00421

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[4]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[4]
UDP-glucuronosyltransferase 2A1 (UGT2A1)	DEGKRXT	UD2A1_HUMAN	Substrate	[5]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (SRD5A2)	OTTG0NFD	S5A2_HUMAN	Gene/Protein Processing	[6]
Androgen receptor (AR)	OTUBKAZZ	ANDR_HUMAN	Gene/Protein Processing	[7]
Estrogen receptor (ESR1)	OTKLU61J	ESR1_HUMAN	Gene/Protein Processing	[8]
Prostate-specific antigen (KLK3)	OTFGSBFJ	KLK3_HUMAN	Protein Interaction/Cellular Processes	[9]
Protein GREB1 (GREB1)	OTU6ZA26	GREB1_HUMAN	Gene/Protein Processing	[10]
Trefoil factor 1 (TFF1)	OTCYQH4F	TFF1_HUMAN	Gene/Protein Processing	[10]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Methyltestosterone (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[11]
Bedaquiline	DM3906J	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[12]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[13]
Cannabidiol	DM0659E	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Cannabidiol.	Epileptic encephalopathy [8A62]	[14]
Brentuximab vedotin	DMWLC57	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Brentuximab vedotin.	Hodgkin lymphoma [2B30]	[15]
Teriflunomide	DMQ2FKJ	Major	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[16]
BMS-201038	DMQTAGO	Major	Increased risk of hepatotoxicity by the combination of Methyltestosterone and BMS-201038.	Hyper-lipoproteinaemia [5C80]	[17]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[18]
Idelalisib	DM602WT	Moderate	Increased risk of hepatotoxicity by the combination of Methyltestosterone and Idelalisib.	Mature B-cell leukaemia [2A82]	[19]
Carfilzomib	DM48K0X	Major	Additive thrombogenic effects by the combination of Methyltestosterone and Carfilzomib.	Multiple myeloma [2A83]	[11]
Insulin degludec	DMPL395	Moderate	Increased risk of hypoglycemia by the combination of Methyltestosterone and Insulin degludec.	Type-1/2 diabete [5A10-5A11]	[20]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Allura red AC dye	E00338	33258	Colorant
FD&C blue no. 1	E00263	19700	Colorant
FD&C blue no. 2	E00446	2723854	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Sodium lauryl sulfate	E00464	3423265	Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Ferrosoferric oxide	E00231	14789	Colorant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Saccharose	E00091	5988	Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Methyltestosterone 10 mg capsule	10 mg	Oral Capsule	Oral
Methyltestosterone 10 mg tablet	10 mg	Oral Tablet	Oral

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References

1	Methyltestosterone FDA Label
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6945).
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	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.
5	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.
6	Effects of various pesticides on human 5alpha-reductase activity in prostate and LNCaP cells. Toxicol In Vitro. 2007 Apr;21(3):502-8.
7	Development and pre-validation of an in vitro transactivation assay for detection of (anti)androgenic potential compounds using 22Rv1/MMTV cells. Reprod Toxicol. 2016 Apr;60:156-66. doi: 10.1016/j.reprotox.2016.02.006. Epub 2016 Feb 8.
8	Mixture Effects of Bisphenol A and Its Structural Analogs on Estrogen Receptor Transcriptional Activation. Toxics. 2023 Dec 4;11(12):986. doi: 10.3390/toxics11120986.
9	Cell viability and PSA secretion assays in LNCaP cells: a tiered in vitro approach to screen chemicals with a prostate-mediated effect on male reproduction within the ReProTect project. Reprod Toxicol. 2010 Aug;30(1):25-35. doi: 10.1016/j.reprotox.2010.03.008. Epub 2010 Apr 2.
10	Evaluation of an imaging-based in vitro screening platform for estrogenic activity with OECD reference chemicals. Toxicol In Vitro. 2022 Jun;81:105348. doi: 10.1016/j.tiv.2022.105348. Epub 2022 Mar 18.
11	Cerner Multum, Inc. "Australian Product Information.".
12	Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
13	Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
14	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
15	Product Information. Adcetris (brentuximab vedotin). Seattle Genetics Inc, Bothell, WA.
16	Canadian Pharmacists Association.
17	Product Information. Juxtapid (lomitapide). Aegerion Pharmaceuticals Inc, Cambridge, MA.
18	Al-Nawakil C, Willems L, Mauprivez C, et.al "Successful treatment of l-asparaginase-induced severe acute hepatotoxicity using mitochondrial cofactors." Leuk Lymphoma 55 (2014): 1670-4. [PMID: 24090500]
19	Product Information. Zydelig (idelalisib). Gilead Sciences, Foster City, CA.
20	Abad S, Moachon L, Blanche P, Bavoux F, Sicard D, Salmon-Ceron D "Possible interaction between glicazide, fluconazole and sulfamethoxazole resulting in severe hypoglycaemia." Br J Clin Pharmacol 52 (2001): 456-7. [PMID: 11678792]