Compound Detail
CHEMBL503676
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Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL503676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRIMNMVKXWBRBE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
5.47
ALogP
5
HBA
0
HBD
71.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]testosterone from human recombinant androgen receptor T877A ... | 18571420 |
| Androgen receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at wild type human recombinant androgen receptor assessed as... | 18571420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571420 | 10.1016/j.bmc.2008.05.063 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine