Compound Detail
CHEMBL250997
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C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL250997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMBWZDLDJNBWBB-INIZCTEOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
2.92
ALogP
6
HBA
2
HBD
126.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]mibolerone from androgen receptor in intact rat ventral pros... | - |
| Androgen receptor | IC50 | = | 22400.0 | nM | 4.65 | Gal4-luciferase reporter assay: Briefly, the AR LBD is expressed as a fusion wit... | - |
Data from ChEMBL 36 via Core Engine