Compound Detail
CHEMBL590131
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL590131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJXSPUJTRHIPSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.35
ALogP
6
HBA
2
HBD
62.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 96.0 | nM | 7.02 | Inhibition of human 17beta-HSD3 expressed in HeLa cells | 19954971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954971 | 10.1016/j.bmcl.2009.10.111 | 17-beta-hydroxysteroid dehydrogenase type 3 | 1 |
Data from ChEMBL 36 via Core Engine