Compound Detail
CHEMBL206768
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Basic Information
| ChEMBL ID | CHEMBL206768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFIUAJMVHXAYCZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.34
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 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 7.05 | 6.855 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of 17beta-HSD3 | 16386902 |
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of 17beta-HSD3 by SEAP assay | 16386902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386902 | 10.1016/j.bmcl.2005.12.039 | 17-beta-hydroxysteroid dehydrogenase type 3 | 2 |
Data from ChEMBL 36 via Core Engine