Compound Detail
CHEMBL258687
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Basic Information
| ChEMBL ID | CHEMBL258687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQDQJXSIUCYJDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
4.21
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 5.65 | 5.65 | 2257.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.4 | 5.4 | 4007.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 2257.0 | nM | 5.65 | Inhibition of human placental 17beta-HSD1 | 18324762 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 4007.0 | nM | 5.4 | Inhibition of human placental 17beta-HSD2 | 18324762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324762 | 10.1021/jm701447v | 17-beta-hydroxysteroid dehydrogenase type 1 | 3 |
| 18324762 | 10.1021/jm701447v | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 18324762 | 10.1021/jm701447v | Unchecked | 1 |
| 18324762 | 10.1021/jm701447v | Estrogen receptor | 1 |
| 18324762 | 10.1021/jm701447v | Estrogen receptor beta | 1 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
Data from ChEMBL 36 via Core Engine