Compound Detail
CHEMBL1910408
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Basic Information
| ChEMBL ID | CHEMBL1910408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMRMIAPAXFNFBM-KBPBESRZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.88
ALogP
5
HBA
2
HBD
84.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 7.35 | 5.855 | 45.0 | 2 |
| Androgen receptor CHEMBL3072 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 45.0 | nM | 7.35 | Competitive binding affinity to rat androgen receptor | 21944856 |
| Androgen receptor | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at rat androgen receptor | 21944856 |
| Androgen receptor | IC50 | = | 44000.0 | nM | 4.36 | Antagonist activity at rat androgen receptor | 21944856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Androgen receptor | 3 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine