Compound Detail
CHEMBL131803
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Basic Information
| ChEMBL ID | CHEMBL131803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMSVDVECSNPIS-OLZOCXBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.48
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 6.5 | 6.5 | 320.0 | 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 | IC50 | = | 320.0 | nM | 6.5 | In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. | 8381185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8381185 | 10.1021/jm00055a014 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine