Compound Detail
CHEMBL259814
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 | CHEMBL259814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBXFNIUSTYUSRR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.58
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 15600.0 | nM | 4.81 | Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins | 18329273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329273 | 10.1016/j.bmc.2008.02.059 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
Data from ChEMBL 36 via Core Engine