Compound Detail
CHEMBL3590187
CLASCOTERONE 💊 Approved Drug
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💊 Approved Drug
CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL3590187 |
| Name | CLASCOTERONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GPNHMOZDMYNCPO-PDUMRIMRSA-N |
| Therapeutic | ✓ Yes |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
7
Known Names
2
Indications
1
Mechanisms
Molecular Properties
402.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2020 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Androgen Receptor antagonist | ANTAGONIST | Androgen receptor | ✓ | ✓ |
Indications
Acne Vulgaris Alopecia
ATC Classification
D10AX06
clascoterone
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
Activity Summary
IC50 1 meas. best 7.3
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]methyltrienolone from androgen receptor in human prostate ca... | - |
| Androgen receptor | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]methyltrienolone from androgen receptor in human prostate ca... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00049H | Plasma | 34 |
| - | 10.1039/C4MD00049H | Skin | 30 |
| - | 10.1039/C4MD00049H | Rattus norvegicus | 5 |
| - | 10.1039/C4MD00049H | Syrian golden hamster | 3 |
| - | 10.1039/C4MD00049H | Androgen receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1039/C4MD00049H | Steroid 5-alpha-reductase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine