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Compound Detail

CHEMBL1395

METHYLTESTOSTERONE
💊 Approved Drug
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💊 Approved Drug
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O

Basic Information

ChEMBL ID CHEMBL1395
Name METHYLTESTOSTERONE
Phase Approved
Structure Type MOL
InChI Key GCKMFJBGXUYNAG-HLXURNFRSA-N
Therapeutic ✓ Yes

Known Names

17-methyltestosterone Android Android 10 Android 25 Android 5 CDB-110 L 589.372 L-589.372 L-589372 Metandren Methitest Methyltestosterone +16 more
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
28
Known Names
4
Indications
1
Mechanisms

Molecular Properties

302.5
MW (Da)
4.27
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1973
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral Topical

Flags

Natural Product
USAN Stem -ster-; -terone

Extended Properties

Molecular Formula C20H30O2
MW 302.46
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.12

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Androgen Receptor agonist AGONIST Androgen receptor

Indications

Breast Neoplasms Hypogonadism Orchitis Menopause

ATC Classification

G03BA02
methyltestosterone
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03EK01
methyltestosterone
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM

Activity Summary

IC50 4 meas. best 8.19
Ki 3 meas. best 8.37
Kd 1 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sex hormone-binding globulin
CHEMBL3305
Kd 8.43 8.43 3.7 1
Androgen receptor
CHEMBL3072
Ki 8.37 8.37 4.3 1
Androgen receptor
CHEMBL3072
IC50 8.19 7.995 6.4 2
Progesterone receptor
CHEMBL1909044
Ki 7.48 7.48 33.0 1
Progesterone receptor
CHEMBL1909044
IC50 6.6 6.6 251.0 1
Glucocorticoid receptor
CHEMBL2034
Ki 6.08 6.08 838.0 1
Glucocorticoid receptor
CHEMBL2034
IC50 5.73 5.73 1843.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1407
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20014752 10.1021/tx900326k Hepatotoxicity 6
18514531 10.1016/j.bmc.2008.04.001 NON-PROTEIN TARGET 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine