Compound Detail
CHEMBL5272679
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Basic Information
| ChEMBL ID | CHEMBL5272679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRKNQBGATQGRTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesterol 24-hydroxylase CHEMBL4523510 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesterol 24-hydroxylase | IC50 | = | 36.0 | nM | 7.44 | 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 |
| 34387987 | 10.1021/acs.jmedchem.1c00864 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine