Compound Detail
CHEMBL5278765
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O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5278765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAJUBFCWVHCYKM-RABNCREUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
1.15
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 8100.0 | nM | 5.09 | 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 | 1 |
Data from ChEMBL 36 via Core Engine