Compound Detail
CHEMBL2419301
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Basic Information
| ChEMBL ID | CHEMBL2419301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBJLPZIAKOMATO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.89
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.37 | 7.225 | 43.0 | 4 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 43.0 | nM | 7.37 | Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 h... | 23958516 |
| Mineralocorticoid receptor | IC50 | = | 43.0 | nM | 7.37 | Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed ... | 25187277 |
| Mineralocorticoid receptor | IC50 | = | 83.0 | nM | 7.08 | Antagonist activity at MR (unknown origin) expressed in COS1 cells after 1 day b... | 23958516 |
| Mineralocorticoid receptor | IC50 | = | 83.0 | nM | 7.08 | Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells ... | 25187277 |
| Glucocorticoid receptor | IC50 | = | 4900.0 | nM | 5.31 | Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs ... | 23958516 |
| Progesterone receptor | IC50 | = | 4900.0 | nM | 5.31 | Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin)... | 25187277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23958516 | 10.1016/j.bmc.2013.07.043 | Unchecked | 3 |
| 25187277 | 10.1016/j.bmc.2014.07.038 | Mineralocorticoid receptor | 3 |
| 23958516 | 10.1016/j.bmc.2013.07.043 | Mineralocorticoid receptor | 2 |
| 25187277 | 10.1016/j.bmc.2014.07.038 | Progesterone receptor | 2 |
| 23958516 | 10.1016/j.bmc.2013.07.043 | Progesterone receptor | 1 |
| 23958516 | 10.1016/j.bmc.2013.07.043 | Androgen receptor | 1 |
| 23958516 | 10.1016/j.bmc.2013.07.043 | Glucocorticoid receptor | 1 |
| 25187277 | 10.1016/j.bmc.2014.07.038 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine