Compound Detail
CHEMBL48746
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Basic Information
| ChEMBL ID | CHEMBL48746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLTIGDUKNMBVNZ-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
5.25
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.81
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.51
IC50 2 meas. best 5.92
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.92 | 5.685 | 1200.0 | 2 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.9 | 5.9 | 1261.0 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 5.89 | 5.89 | 1295.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.84 | 5.84 | 1449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 31.0 | nM | 7.51 | Binding affinity determined for human Progesterone receptor A isoform | 8627601 |
| Progesterone receptor | IC50 | = | 1200.0 | nM | 5.92 | Antagonistic potency to the human progesterone receptor measured in the T-47D al... | 8627601 |
| Glucocorticoid receptor | Ki | = | 1261.0 | nM | 5.9 | Binding affinity was determined for human glucocorticoid receptor(hGR). | 8627601 |
| Progesterone receptor | EC50 | = | 1295.0 | nM | 5.89 | Effective concentration against human Progesterone receptor B isoform expressed ... | 8627601 |
| Androgen receptor | Ki | = | 1449.0 | nM | 5.84 | Binding affinity determined against human Androgen receptor | 8627601 |
| Progesterone receptor | IC50 | = | 3567.0 | nM | 5.45 | Concentration required to give half-maximal inhibition against human Progesteron... | 8627601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627601 | 10.1021/jm950747d | Progesterone receptor | 7 |
| 8627601 | 10.1021/jm950747d | Glucocorticoid receptor | 1 |
| 8627601 | 10.1021/jm950747d | Androgen receptor | 1 |
| 8627601 | 10.1021/jm950747d | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine