Compound Detail
CHEMBL1672542
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Basic Information
| ChEMBL ID | CHEMBL1672542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIAURGNSNSBTNK-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.39
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.19
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.19 | 8.19 | 6.4 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.19 | 7.19 | 64.1 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.34 | 6.34 | 454.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.12 | 6.12 | 765.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expre... | 24900294 |
| Glucocorticoid receptor | Ki | = | 6.39 | nM | 8.19 | Displacement of [3H]methyltrienolone from human glucocorticoid receptor expresse... | 24900294 |
| Mineralocorticoid receptor | IC50 | = | 64.1 | nM | 7.19 | Antagonist activity at human mineralocorticoid receptor expressed in HEK293 cell... | 24900294 |
| Androgen receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]methyltrienolone from human androgen receptor expressed in H... | 24900294 |
| Progesterone receptor | Ki | = | 454.0 | nM | 6.34 | Displacement of [3H]methyltrienolone from human progesterone receptor expressed ... | 24900294 |
| Progesterone receptor | IC50 | = | 765.0 | nM | 6.12 | Antagonist activity at human progesterone receptor expressed in HEK293 cells ass... | 24900294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900294 | 10.1021/ml100220b | Mineralocorticoid receptor | 3 |
| 24900294 | 10.1021/ml100220b | Progesterone receptor | 3 |
| 24900294 | 10.1021/ml100220b | Glucocorticoid receptor | 1 |
| 24900294 | 10.1021/ml100220b | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine