Compound Detail
CHEMBL1774775
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL1774775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVCSOVFCVIEUFH-IGCYBFCNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
1.68
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.06 | 4.735 | 8700.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 8700.0 | nM | 5.06 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 33422907 |
| No relevant target | IC50 | = | 38900.0 | nM | 4.41 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 33422907 |
| RAW264.7 | IC50 | = | 38900.0 | nM | 4.41 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 6 |
| 23465614 | 10.1016/j.bmcl.2013.01.127 | 3T3-L1 | 3 |
| 21504848 | 10.1016/j.bmcl.2011.03.074 | NON-PROTEIN TARGET | 2 |
| 33422907 | 10.1016/j.bmc.2020.115971 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine