Compound Detail
CHEMBL2235208
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COc1ccc(/C=C2\CCCC3C2=NN(C(=O)c2ccccc2)C3c2ccc(OC)c(OC)c2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL2235208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIOYCAMHZYJOAJ-OQKWZONESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
6.16
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 25100.0 | nM | 4.6 | 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