Compound Detail
CHEMBL112987
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Basic Information
| ChEMBL ID | CHEMBL112987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJSHBZLXBZYVMR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
7.24
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.06
EC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 9.06 | 9.06 | 0.9 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.41 | 6.41 | 394.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.05 | 6.05 | 886.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.87 | nM | 9.06 | Binding affinity was determined against hPR-A (human progesterone receptor) usin... | 9873735 |
| Progesterone receptor | EC50 | = | 6.8 | nM | 8.17 | Agonist activity was determined against hPR (human progesterone receptor) compar... | 9873735 |
| Glucocorticoid receptor | Ki | = | 394.0 | nM | 6.41 | Displacement of Dexamethasone from human glucocorticoid receptor | 9873735 |
| Androgen receptor | Ki | = | 886.0 | nM | 6.05 | Displacement of DHT from human androgen receptor | 9873735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Progesterone receptor | 5 |
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Androgen receptor | 1 |
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine