Compound Detail
CHEMBL2235207
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COc1cc(/C=C2\CCCC3C2=NN(C(=O)c2ccccc2)C3c2ccc(O)c(OC)c2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2235207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAPWQOXTRDXPOZ-HMMYKYKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.55
ALogP
6
HBA
2
HBD
91.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.33 | 4.33 | 47080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 47080.0 | nM | 4.33 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9521-0 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-010-9521-0 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine