Compound Detail
CHEMBL76998
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Basic Information
| ChEMBL ID | CHEMBL76998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSQFYQIDRSNWBE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.7
MW (Da)
4.05
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL1856 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Ki | = | 1600.0 | nM | 5.8 | Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 1900.0 | nM | 5.72 | Apparent inhibition constant towards human Steroid 5-alpha-reductase type I | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)85034-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| - | 10.1016/0960-894X(94)85034-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine