Compound Detail
CHEMBL133338
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Basic Information
| ChEMBL ID | CHEMBL133338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPEDKDZTBILGTO-KXDFINBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
5.60
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 5-alpha-reductase | IC50 | = | 0.13 | nM | 9.89 | Compound was tested for the inhibitory activity against Steroid 5-alpha-reductas... | 9871588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871588 | 10.1016/s0960-894x(98)00044-4 | Steroid 5-alpha-reductase | 1 |
| 9871588 | 10.1016/s0960-894x(98)00044-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine