Compound Detail
CHEMBL67844
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Basic Information
| ChEMBL ID | CHEMBL67844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUGWSSNPSKWWFO-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.94
ALogP
3
HBA
0
HBD
18.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory effect on PGE-2 production in LPS-stimulated RAW264.7 cells | 15080988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Staphylococcus aureus | 2 |
| 15080988 | 10.1016/j.bmcl.2004.02.038 | RAW264.7 | 1 |
| 14552759 | 10.1016/j.bmcl.2003.08.013 | RAW264.7 | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Mycolicibacterium smegmatis | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Escherichia coli | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine