Compound Detail
CHEMBL258918
MESTEROLONE 🧪 Phase II
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🧪 Phase II
C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C
Basic Information
| ChEMBL ID | CHEMBL258918 |
| Name | MESTEROLONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UXYRZJKIQKRJCF-TZPFWLJSSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
9
Known Names
Molecular Properties
304.5
MW (Da)
4.21
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
ATC Classification
G03BB01
mesterolone
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Activity Summary
IC50 1 meas. best 4.74
Kd 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 9.6 | 9.6 | 0.3 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.74 | 4.74 | 18280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 0.2512 | nM | 9.6 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Androgen receptor | IC50 | = | 18280.0 | nM | 4.74 | Displacement of fluormone-AL Green from recombinant rat His-tagged/GST-fused and... | 28757062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 18330978 | 10.1021/jm7011485 | Sex hormone-binding globulin | 1 |
| 28757062 | 10.1016/j.bmcl.2017.05.078 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine