Compound Detail
CHEMBL4128383
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C[C@@]12c3ccc4c(c3C[N@@+](C)([O-])[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3)OCO4
Basic Information
| ChEMBL ID | CHEMBL4128383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVXSPDCAVZUAEY-JKLQHZFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.52
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2790.0 | nM | 5.55 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 29853329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29853329 | 10.1016/j.bmcl.2018.05.039 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine