Compound Detail
CHEMBL4218130
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Basic Information
| ChEMBL ID | CHEMBL4218130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLIMCXCSQXYCGL-JENUQAQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.38
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 3500.0 | nM | 5.46 | Peroxynitrite scavenging activity assessed as inhibition of DHR 123 oxidation af... | 28787158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28787158 | 10.1021/acs.jnatprod.7b00139 | No relevant target | 1 |
| 32692166 | 10.1021/acs.jmedchem.0c00748 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine