Compound Detail
CHEMBL97266
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Basic Information
| ChEMBL ID | CHEMBL97266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUKBLWIKFNKEEG-OAHLLOKOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.8
MW (Da)
3.34
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 6.04 | 6.04 | 920.0 | 2 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL1856 | Ki | 4.7 | 4.7 | 20000.0 | 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 | = | 920.0 | nM | 6.04 | Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase typ... | 9873639 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 920.0 | nM | 6.04 | Inhibition of type-1 human steroid 5-alpha-reductase | - |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Ki | = | 20000.0 | nM | 4.7 | Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase typ... | 9873639 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Ki | = | 20000.0 | nM | 4.7 | Inhibition of type-2 human steroid 5-alpha-reductase. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00054-6 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 2 |
| 9873639 | 10.1016/s0960-894x(98)00505-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 9873639 | 10.1016/s0960-894x(98)00505-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| - | 10.1016/0960-894X(96)00054-6 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine