Compound Detail
CHEMBL519169
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Basic Information
| ChEMBL ID | CHEMBL519169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCRIHEXPHCZBDQ-BHQQRDBZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.8
MW (Da)
1.89
ALogP
3
HBA
1
HBD
62.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.36
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Androgen receptor CHEMBL3072 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H[DHT from androgen receptor endogenously expressed in human M... | 19351168 |
| Androgen receptor | EC50 | = | 44.0 | nM | 7.36 | Agonist activity at rat androgen receptor expressed in mouse skeletal muscle C2C... | 19351168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351168 | 10.1021/jm801583j | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine