Compound Detail
CHEMBL1910411
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Basic Information
| ChEMBL ID | CHEMBL1910411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNYAUBNZRZVNLX-KBPBESRZSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.40
ALogP
5
HBA
2
HBD
78.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
| Androgen receptor CHEMBL3072 | IC50 | 7.58 | 7.5033 | 26.0 | 3 |
| Progesterone receptor CHEMBL3456 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Mineralocorticoid receptor CHEMBL3507 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at rat androgen receptor | 21944856 |
| Androgen receptor | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at rat Androgen receptor | 35786895 |
| Androgen receptor | IC50 | = | 26.0 | nM | 7.58 | Competitive binding affinity to rat androgen receptor | 21944856 |
| Androgen receptor | IC50 | = | 26.0 | nM | 7.58 | Binding affinity to rat Androgen receptor | 35786895 |
| Androgen receptor | IC50 | = | 45.0 | nM | 7.35 | Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat pr... | 21944856 |
| Progesterone receptor | IC50 | = | 3400.0 | nM | 5.47 | Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus ... | 21944856 |
| Mineralocorticoid receptor | IC50 | = | 14000.0 | nM | 4.85 | Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat k... | 21944856 |
| Glucocorticoid receptor | IC50 | = | 49000.0 | nM | 4.31 | Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver... | 21944856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Androgen receptor | 4 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Rattus norvegicus | 4 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | No relevant target | 1 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Progesterone receptor | 1 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Unchecked | 1 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Glucocorticoid receptor | 1 |
| 21944856 | 10.1016/j.bmcl.2011.08.118 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine