Compound Detail
CHEMBL3138083
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C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3138083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRHVOUYZPKSINF-XNTXBEAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.35
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 4.88 | 4.88 | 13182.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 13182.57 | nM | 4.88 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine