Compound Detail
CHEMBL4744695
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O=C1C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CN1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4744695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGJBGPSKRQEBJG-HZMAYWFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
-1.40
ALogP
7
HBA
4
HBD
119.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.14 | 4.14 | 72530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 72530.0 | nM | 4.14 | Antiinflammatory activity against mouse RAW 264.7 cells assessed as inhibition o... | 33223464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33223464 | 10.1016/j.bmc.2020.115854 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine