Compound Detail
CHEMBL5285729
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 | CHEMBL5285729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSLOOASRIMZQEA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.01
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | IC50 | 6.52 | 6.52 | 303.0 | 1 |
| 7-dehydrocholesterol reductase CHEMBL2169735 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | IC50 | = | 303.0 | nM | 6.52 | Inhibition of EBP (unknown origin) | 33445154 |
| 7-dehydrocholesterol reductase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of DHCR7 (unknown origin) | 33445154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33445154 | 10.1016/j.ejmech.2020.113149 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 33445154 | 10.1016/j.ejmech.2020.113149 | 7-dehydrocholesterol reductase | 1 |
Data from ChEMBL 36 via Core Engine