Compound Detail
CHEMBL3318159
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Basic Information
| ChEMBL ID | CHEMBL3318159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCMITIPRVNTWRD-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.82
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.68 | 5.27 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of IFN-gamma/LPS-induced PGE2 production in mouse RAW264.7 cells afte... | 25027933 |
| RAW264.7 | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of IFN-gamma/LPS-induced nitric oxide production in mouse RAW264.7 ce... | 25027933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25027933 | 10.1016/j.bmcl.2014.06.061 | RAW264.7 | 4 |
Data from ChEMBL 36 via Core Engine