Compound Detail
CHEMBL5285995
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Basic Information
| ChEMBL ID | CHEMBL5285995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEISGAHKMOISPP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.55
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | IC50 | 8.53 | 8.53 | 3.0 | 1 |
| 7-dehydrocholesterol reductase CHEMBL2169735 | IC50 | 5.97 | 5.97 | 1070.0 | 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 | = | 2.95 | nM | 8.53 | Inhibition of EBP (unknown origin) | 33445154 |
| 7-dehydrocholesterol reductase | IC50 | = | 1070.0 | nM | 5.97 | 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