Compound Detail
CHEMBL544819
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Basic Information
| ChEMBL ID | CHEMBL544819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYHTUZFYNSAULO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193418 |
| Active Moiety | CHEMBL1193418 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.77
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against superoxide production from human neutrophil... | 7830278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830278 | 10.1021/jm00002a017 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine