Compound Detail
CHEMBL1230438
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C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1230438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAJWOBJTTGJROA-WZNAKSSCSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.17
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
EC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 6.05 | 6.05 | 899.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 0.79 | nM | 9.1 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
| Androgen receptor | IC50 | = | 20.0 | nM | 7.7 | In vitro antagonist activity against rat prostatic androgen receptor (AR) | 3783591 |
| Aromatase | IC50 | = | 899.5 | nM | 6.05 | Inhibition of aromatase (unknown origin) | 33017749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783591 | 10.1021/jm00161a028 | Androgen receptor | 1 |
| 33017749 | 10.1016/j.ejmech.2020.112845 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine