Compound Detail
CHEMBL2230073
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Basic Information
| ChEMBL ID | CHEMBL2230073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJNWZSQWZHPFLJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.37
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.23 | 38000.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 38000.0 | nM | 4.42 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
| RAW264.7 | IC50 | = | 41000.0 | nM | 4.39 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 25221661 |
| NON-PROTEIN TARGET | IC50 | = | 92000.0 | nM | 4.04 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21058739 | 10.1021/jf103440s | Tobacco mosaic virus | 6 |
| 25221661 | 10.1021/ml500255j | T-cell | 6 |
| 25221661 | 10.1021/ml500255j | RAW264.7 | 2 |
| 25221661 | 10.1021/ml500255j | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine