Compound Detail
CHEMBL2172349
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Basic Information
| ChEMBL ID | CHEMBL2172349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYHOSURPOZRNRC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 7-dehydrocholesterol reductase CHEMBL2169735 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 7-dehydrocholesterol reductase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis... | 22882119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22882119 | 10.1021/jm3006096 | ADMET | 5 |
| 22882119 | 10.1021/jm3006096 | Yarrowia lipolytica | 3 |
| 22882119 | 10.1021/jm3006096 | Saccharomyces cerevisiae | 3 |
| 22882119 | 10.1021/jm3006096 | Nakaseomyces glabratus | 3 |
| 22882119 | 10.1021/jm3006096 | 7-dehydrocholesterol reductase | 2 |
| 22882119 | 10.1021/jm3006096 | Escherichia coli | 1 |
| 22882119 | 10.1021/jm3006096 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine