Compound Detail
CHEMBL4790963
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Basic Information
| ChEMBL ID | CHEMBL4790963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDXOLMFRZWGIHQ-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.01
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.57 | 5.02 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells measur... | 32208222 |
| RAW264.7 | IC50 | = | 34000.0 | nM | 4.47 | Cytotoxicity against mouse RAW264.7 cells assessed as reduction in cell viabilit... | 32208222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 3 |
Data from ChEMBL 36 via Core Engine