Compound Detail
CHEMBL255776
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Basic Information
| ChEMBL ID | CHEMBL255776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZEYWBIKLUFKOJ-YPXMJKPUSA-N |
1
Targets
2
Activities
2
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.02
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3537.08 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1740.0 | nM | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]DHT from human androgen receptor in MDA453 cells | 18291644 |
| Androgen receptor | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosp... | 18291644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18291644 | 10.1016/j.bmcl.2008.02.006 | Mus musculus | 3 |
| 18291644 | 10.1016/j.bmcl.2008.02.006 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine