Molecule Details
InChIKeyGCKMFJBGXUYNAG-HLXURNFRSA-N
Compound NameMethyltestosterone
Canonical SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.25
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06710
Drug NameMethyltestosterone
CAS Number58-18-4
Groups approved investigational
ATC Codes G03BA02 G03EA01 G03EK01
DescriptionA synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies. Also, has antineoplastic properties and so has been used secondarily in women with advanced breast cancer. Methyltestosterone is a schedule III drug in the US.

Categories: 3-Oxoandrosten (4) Derivatives Anabolic Agents Androgens Androgens and Estrogens Androstanes Androstenes Androstenols Antineoplastic Agents Antineoplastic Agents, Hormonal Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Fused-Ring Compounds Genito Urinary System and Sex Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists OAT3/SLC22A8 Inducers Sex Hormones and Modulators of the Genital System Steroids Testosterone Congeners Thyroxine-binding globulin inhibitors
Cross-references: BindingDB: 50410531 ChEBI: 27436 CHEMBL1395 ChemSpider: 5788 Drugs Product Database (DPD): 7497 C07198 D00408 PharmGKB: PA165958383 PubChem:6010 PubChem:99443262 RxCUI: 6904 Wikipedia: Methyltestosterone ZINC: ZINC000003814422
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P04278 SHBG Homo sapiens Human PF00054 8.4 Kd ChEMBL;BindingDB
P04150 NR3C1 Homo sapiens Human PF02155 PF00104 PF00105 6.1 Ki ChEMBL
DrugBank Target Actions (11)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P04278 SHBG Sex hormone-binding globulin binder carriers
P11511 CYP19A1 Aromatase inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P11511 CYP19A1 Aromatase substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P10275 AR Androgen receptor agonist targets
P03372 ESR1 Estrogen receptor partial agonist targets
P46721 P46721 Solute carrier organic anion transporter family member 1A2 inducer transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inducer transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 inhibitor transporters