Compound Detail
CHEMBL180859
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Basic Information
| ChEMBL ID | CHEMBL180859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYINCMQJDVVGCO-GHXBURCUSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.7
MW (Da)
2.79
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.7 | 7.725 | 2.0 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 7.48 | 6.8833 | 33.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 2.0 | nM | 8.7 | Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells | 15603960 |
| Androgen receptor | IC50 | = | 33.0 | nM | 7.48 | Inhibition of T877A androgen receptor of human prostate cancer cells in reporter... | 15603960 |
| Androgen receptor | IC50 | = | 132.0 | nM | 6.88 | Inhibition of L701H/T877A mutant androgen receptor of human prostate cancer MDAM... | 15603960 |
| Androgen receptor | Ki | = | 177.0 | nM | 6.75 | Inhibition of [3H]DHT binding to androgen receptor of MDA-453 cells | 15603960 |
| Androgen receptor | IC50 | = | 517.0 | nM | 6.29 | Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in repor... | 15603960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603960 | 10.1016/j.bmcl.2004.10.051 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine