Compound Detail
CHEMBL253334
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Basic Information
| ChEMBL ID | CHEMBL253334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGRRPSBKBJVKJE-SQBHOSFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.63
ALogP
7
HBA
3
HBD
97.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 4.93 | 4.93 | 11830.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 11830.0 | nM | 4.93 | Antiinflammatory activity in human neutrophils assessed as fMLP-induced superoxi... | 17822293 |
| RAW264.7 | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells preinc... | 21435874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17822293 | 10.1021/np070186g | Neutrophil | 1 |
| 21435874 | 10.1016/j.bmcl.2011.02.102 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine