Compound Detail
CHEMBL1684194
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Basic Information
| ChEMBL ID | CHEMBL1684194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJRZFRLQNHKDCY-ZOWXZIJZSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.07
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.29
EC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | EC50 | 8.64 | 8.34 | 2.3 | 2 |
| Androgen receptor CHEMBL3072 | IC50 | 8.29 | 8.0233 | 5.1 | 3 |
| Progesterone receptor CHEMBL3456 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Mineralocorticoid receptor CHEMBL3507 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 2.3 | nM | 8.64 | Agonist activity at rat androgen receptor | 21944856 |
| Androgen receptor | IC50 | = | 5.1 | nM | 8.29 | Competitive binding affinity to rat androgen receptor | 21944856 |
| Androgen receptor | EC50 | = | 9.2 | nM | 8.04 | Agonist activity at rat Androgen receptor | 35786895 |
| Androgen receptor | IC50 | = | 13.0 | nM | 7.89 | Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillat... | 21349712 |
| Androgen receptor | IC50 | = | 13.0 | nM | 7.89 | Binding affinity to rat Androgen receptor | 35786895 |
| Progesterone receptor | IC50 | = | 130.0 | nM | 6.89 | Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting | 21349712 |
| Mineralocorticoid receptor | IC50 | = | 6300.0 | nM | 5.2 | Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillati... | 21349712 |
| Glucocorticoid receptor | IC50 | = | 18000.0 | nM | 4.75 | Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintilla... | 21349712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Androgen receptor | 3 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Rattus norvegicus | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Androgen receptor | 1 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Progesterone receptor | 1 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Unchecked | 1 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Glucocorticoid receptor | 1 |
| 21349712 | 10.1016/j.bmcl.2011.01.073 | Mineralocorticoid receptor | 1 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine