Compound Detail
CHEMBL123673
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C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL123673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHSHETLZYRKYOK-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
4.24
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 6.7 | 6.7 | 199.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 200.0 | nM | 6.7 | Binding Affinity towards Rat Androgen Receptor was determined using [3H]- mibole... | 10691684 |
| Androgen receptor | Ki | = | 199.53 | nM | 6.7 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691684 | 10.1021/jm990027x | Androgen receptor | 1 |
| 15239655 | 10.1021/jm0499007 | Androgen receptor | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine