Compound Detail
CHEMBL3764367
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C=CCc1ccc(O)c(-c2ccc(O[C@@H]3CCc4cc(CC=C)cc(-c5cc(CC=C)ccc5O)c4O3)cc2O)c1
Basic Information
| ChEMBL ID | CHEMBL3764367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDFIMVQDFSDPMJ-DHUJRADRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
8.05
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.42 | 5.065 | 3810.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3810.0 | nM | 5.42 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP/CB... | 26928286 |
| NON-PROTEIN TARGET | IC50 | = | 19270.0 | nM | 4.71 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP/CB... | 26928286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26928286 | 10.1016/j.bmc.2016.01.049 | NON-PROTEIN TARGET | 4 |
Data from ChEMBL 36 via Core Engine