Compound Detail
CHEMBL5598058
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Basic Information
| ChEMBL ID | CHEMBL5598058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKHSCDPRQQKCNN-SSDMNJCBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.79
ALogP
5
HBA
3
HBD
70.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 103.0 | nM | 6.99 | Inhibition of IL-1beta release in PMA-differentiated/ LPS and nigericin stimulat... | 39169676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39169676 | 10.1021/acs.jmedchem.4c01341 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine