Compound Detail
CHEMBL5415093
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 | CHEMBL5415093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFKOCUZJYLKNNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.44
ALogP
6
HBA
2
HBD
123.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human 17beta-HSD1 expressed in human T47D cells using [3H]E1 as su... | 37369108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37369108 | 10.1021/acs.jmedchem.3c00571 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 37369108 | 10.1021/acs.jmedchem.3c00571 | Steryl-sulfatase | 1 |
| 37369108 | 10.1021/acs.jmedchem.3c00571 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine