Compound Detail
CHEMBL339333
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C[C@](O)(CS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL339333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHTWVCLLKBGUFZ-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
2.15
ALogP
8
HBA
3
HBD
172.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 7.82 | 7.82 | 15.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 15.14 | nM | 7.82 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
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