Compound Detail
CHEMBL1672544
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Basic Information
| ChEMBL ID | CHEMBL1672544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSQKEQHYMWDEPS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.37
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.37 | 8.37 | 4.2 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.03 | 6.03 | 927.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 5.75 | 5.75 | 1770.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.59 | 5.59 | 2590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 4.23 | nM | 8.37 | Displacement of [3H]methyltrienolone from human progesterone receptor expressed ... | 24900294 |
| Progesterone receptor | IC50 | = | 12.6 | nM | 7.9 | Antagonist activity at human progesterone receptor expressed in HEK293 cells ass... | 24900294 |
| Glucocorticoid receptor | Ki | = | 927.0 | nM | 6.03 | Displacement of [3H]methyltrienolone from human glucocorticoid receptor expresse... | 24900294 |
| Mineralocorticoid receptor | Ki | = | 1770.0 | nM | 5.75 | Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expre... | 24900294 |
| Androgen receptor | Ki | = | 2590.0 | nM | 5.59 | Displacement of [3H]methyltrienolone from human androgen receptor expressed in H... | 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