Compound Detail
CHEMBL3746029
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Basic Information
| ChEMBL ID | CHEMBL3746029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBGXDVCPERQWJU-GGWOSOGESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
4.34
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.2 | 4.2 | 63800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 63800.0 | nM | 4.2 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
| RAW264.7 | IC50 | = | 63826.35 | nM | 4.2 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00541D | RAW264.7 | 4 |
Data from ChEMBL 36 via Core Engine