Compound Detail
CHEMBL417109
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Basic Information
| ChEMBL ID | CHEMBL417109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBSRSVHEOTHLD-AWKYBWMHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
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 7.77
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | Ki | = | 9.0 | nM | 8.05 | Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase typ... | 9873639 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme | 9135028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 9135028 | 10.1021/jm960697s | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine