Compound Detail
CHEMBL2227737
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COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC1C3.O=C(O)c1cc(S(=O)(=O)O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2227737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWOPLGNPCUTOJO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
611.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.8 | 6.74 | 160.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 6.8 | 6.675 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 160.0 | nM | 6.8 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
| RAW264.7 | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay | 25221661 |
| NON-PROTEIN TARGET | IC50 | = | 210.0 | nM | 6.68 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
| RAW264.7 | IC50 | = | 283.0 | nM | 6.55 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 25221661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20000413 | 10.1021/jf902543r | Tobacco mosaic virus | 8 |
| 25221661 | 10.1021/ml500255j | RAW264.7 | 2 |
| 25221661 | 10.1021/ml500255j | NON-PROTEIN TARGET | 2 |
| 25221661 | 10.1021/ml500255j | T-cell | 1 |
Data from ChEMBL 36 via Core Engine