Compound Detail
CHEMBL339056
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CC(=O)Nc1ccc(S(=O)(=O)C[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL339056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEMXSWLOMCOYSK-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
2.74
ALogP
7
HBA
3
HBD
155.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 8.03 | 8.03 | 9.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 9.333 | nM | 8.03 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
| Androgen receptor | Ki | = | 9.32 | nM | 8.03 | Displacement of [3H]mibolerone from androgen receptor in intact rat ventral pros... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239655 | 10.1021/jm0499007 | Androgen receptor | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine