Compound Detail
CHEMBL439685
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C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1cccnc1
Basic Information
| ChEMBL ID | CHEMBL439685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNPFVQVYLDPTB-UONOGXRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of AR mediated transcriptional activation using reporter assay | 16420057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420057 | 10.1021/jm050293c | Androgen receptor | 1 |
| 16420057 | 10.1021/jm050293c | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine