Compound Detail
CHEMBL27549
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Basic Information
| ChEMBL ID | CHEMBL27549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHBUAEFLOSPGQP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
2.25
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 5.19 | 5.19 | 6500.0 | 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 | IC50 | = | 6500.0 | nM | 5.19 | Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme | 9135028 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | IC50 | = | 6500.0 | nM | 5.19 | In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. | 8381185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135028 | 10.1021/jm960697s | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 8381185 | 10.1021/jm00055a014 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine