Compound Detail
CHEMBL2172263
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Basic Information
| ChEMBL ID | CHEMBL2172263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVMQIVIYKXXEIT-TYYBGVCCSA-N |
| Parent Compound | CHEMBL189871 |
| Active Moiety | CHEMBL189871 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
3.91
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 7-dehydrocholesterol reductase CHEMBL2169735 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 7-dehydrocholesterol reductase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis... | 22882119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22882119 | 10.1021/jm3006096 | 7-dehydrocholesterol reductase | 1 |
Data from ChEMBL 36 via Core Engine