Compound Detail
CHEMBL519292
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Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1C[C@H](O)[C@@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL519292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZCZELYCEDKRRD-VXKWHMMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.45
ALogP
7
HBA
2
HBD
112.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 13700.0 | nM | 4.86 | 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 | 2 |
Data from ChEMBL 36 via Core Engine