Compound Detail
CHEMBL1650657
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Basic Information
| ChEMBL ID | CHEMBL1650657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFUGTOKCAAFTSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
5.42
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.02 | 6.02 | 959.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 20.0 | nM | 7.7 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 959.0 | nM | 6.02 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21189020 | 10.1021/jm1009082 | 17-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 21189020 | 10.1021/jm1009082 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
Data from ChEMBL 36 via Core Engine