Compound Detail
CHEMBL179783
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Basic Information
| ChEMBL ID | CHEMBL179783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGWWYZXBGAKMRB-UXXRCYHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
-0.41
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 18300.0 | nM | 4.74 | Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed a... | 31747281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780639 | 10.1016/j.bmcl.2005.01.070 | Mus musculus | 2 |
| 31419126 | 10.1021/acs.jnatprod.8b00984 | RAW264.7 | 2 |
| 31747281 | 10.1021/acs.jnatprod.9b00697 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine