Compound Detail
CHEMBL29166
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Basic Information
| ChEMBL ID | CHEMBL29166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBSRSVHEOTHLD-UKRRQHHQSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
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
Ki 4 meas. best 8.05
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 8.05 | 8.025 | 9.0 | 4 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
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 | = | 9.0 | nM | 8.05 | In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 9.0 | nM | 8.05 | Inhibition of type-1 human steroid 5-alpha-reductase | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 10.0 | nM | 8.0 | In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 10.0 | nM | 8.0 | Inhibition of type-1 human steroid 5-alpha-reductase | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 17.0 | nM | 7.77 | In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. | 8381185 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 17.0 | nM | 7.77 | In vitro inhibitory activity against Steroid 5-alpha-reductase type I | 10987415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80363-2 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 2 |
| - | 10.1016/S0960-894X(01)80363-2 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 2 |
| - | 10.1016/0960-894X(96)00054-6 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 2 |
| - | 10.1016/0960-894X(96)00054-6 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 2 |
| 8381185 | 10.1021/jm00055a014 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| - | 10.1016/0960-894X(96)00136-9 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 10987415 | 10.1016/s0960-894x(00)00368-1 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine