Compound Detail
CHEMBL528463
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Basic Information
| ChEMBL ID | CHEMBL528463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAIQQJIMVVUTQN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
2.07
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | IC50 | 3.08 | 3.08 | 826000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 800.0 | nM | 6.1 | null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison ... | - |
| Cytochrome P450 3A4 | IC50 | = | 800.0 | nM | 6.1 | In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group o... | - |
| Bromodomain adjacent to zinc finger domain protein 2B | IC50 | = | 826000.0 | nM | 3.08 | Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expres... | 24304323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24304323 | 10.1021/jm401582c | Bromodomain adjacent to zinc finger domain protein 2B | 7 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 33543615 | 10.1021/acs.jmedchem.0c01521 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine