Compound Detail
CHEMBL277378
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Basic Information
| ChEMBL ID | CHEMBL277378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYBBTRBXNXRHPO-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.81
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.68
Ki 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.68 | 8.68 | 2.1 | 2 |
| Androgen receptor CHEMBL1871 | Ki | 8.36 | 8.36 | 4.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 2.1 | nM | 8.68 | Agonist activity at human androgen receptor in CV1 cells measured as stimulation... | 17034117 |
| Androgen receptor | EC50 | = | 2.1 | nM | 8.68 | Agonist activity at human AR | 17267219 |
| Androgen receptor | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]DHT from human androgen receptor expressed in MDA-MB-453 cel... | 17034117 |
| Androgen receptor | Ki | = | 4.4 | nM | 8.36 | Binding affinity to human AR | 17267219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034117 | 10.1021/jm060792t | Androgen receptor | 5 |
| 17267219 | 10.1016/j.bmcl.2007.01.001 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine