Compound Detail
CHEMBL2113261
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Basic Information
| ChEMBL ID | CHEMBL2113261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAOXLWDRNCVJBE-RKDXNWHRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
4.51
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.15
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 7.0 | nM | 8.15 | Agonist activity to the human androgen receptor (hAR) in CV-1 cells | 10340624 |
| Androgen receptor | Ki | = | 27.0 | nM | 7.57 | Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radiolig... | 10340624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340624 | 10.1016/s0960-894x(99)00186-9 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine