Compound Detail
CHEMBL541018
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Basic Information
| ChEMBL ID | CHEMBL541018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKGYJVASTMCSHZ-UHFFFAOYSA-N |
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
4.91
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.5
EC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 6.5 | 5.696 | 320.0 | 5 |
| NADPH oxidase 4 CHEMBL1250375 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| NADPH oxidase 3 CHEMBL1741216 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19144451 | 10.1016/j.ejmech.2008.12.003 | 5-hydroxytryptamine receptor 3A | 1 |
| 25150092 | 10.1016/j.bmc.2014.07.050 | Mycolicibacterium smegmatis | 1 |
| 25150092 | 10.1016/j.bmc.2014.07.050 | Mycobacterium tuberculosis | 1 |
| 33065375 | 10.1016/j.ejmech.2020.112842 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine