Compound Detail
CHEMBL470848
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Basic Information
| ChEMBL ID | CHEMBL470848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJBAXROZAXAEEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.29
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 4 CHEMBL1250375 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 4 | IC50 | = | 740.0 | nM | 6.13 | Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H... | 20731357 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of CAMK2 assessed as level of ATP utilized by luciferase-based biolum... | 19296652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22647223 | 10.1016/j.ejmech.2012.04.044 | Thrombin | 4 |
| 20731357 | 10.1021/jm1004368 | NADPH oxidase 4 | 3 |
| 34902735 | 10.1016/j.ejmech.2021.114035 | Plasma | 3 |
| 19296652 | 10.1021/jm801445c | Unchecked | 2 |
| 27314621 | 10.1021/acs.jnatprod.6b00274 | No relevant target | 2 |
| 19296652 | 10.1021/jm801445c | Jurkat | 1 |
| 19296652 | 10.1021/jm801445c | Heat shock protein beta-1 | 1 |
| 20731357 | 10.1021/jm1004368 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine