Compound Detail
CHEMBL279417
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Basic Information
| ChEMBL ID | CHEMBL279417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBSRSVHEOTHLD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.8
MW (Da)
3.16
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.49
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 7.49 | 7.49 | 32.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 20.0 | nM | 7.7 | Apparent inhibition constant towards human Steroid 5-alpha-reductase type I | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 32.36 | nM | 7.49 | In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80306-6 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| - | 10.1016/S0960-894X(00)80306-6 | No relevant target | 1 |
| - | 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