Compound Detail
CHEMBL3220245
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Basic Information
| ChEMBL ID | CHEMBL3220245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGTLRAQCZKLGIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
4.16
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 6.0 | 5.715 | 1000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... | 37918036 |
| Neutrophil | IC50 | = | 3680.0 | nM | 5.43 | Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... | 37918036 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of HIF-1 (unknown origin) expressed in human HeLa cells after 12 hrs ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37918036 | 10.1016/j.ejmech.2023.115874 | Neutrophil | 4 |
| - | 10.1039/C2MD20134H | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine