Compound Detail
CHEMBL5289771
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Basic Information
| ChEMBL ID | CHEMBL5289771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXLOMNFXXIMIFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.58
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesterol 24-hydroxylase CHEMBL4523510 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesterol 24-hydroxylase | IC50 | = | 4.9 | nM | 8.31 | Inhibition of full length N-terminal his6-tagged human CH24H (28 to 494 residues... | 34387987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34387987 | 10.1021/acs.jmedchem.1c00864 | Cholesterol 24-hydroxylase | 1 |
| 34387987 | 10.1021/acs.jmedchem.1c00864 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine