Compound Detail
CHEMBL4173993
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Basic Information
| ChEMBL ID | CHEMBL4173993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEKYAJOAHFLMEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
2.05
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 18600.0 | nM | 4.73 | Anti-inflammatory activity in human PBMC assessed as inhibition of LPS-induced T... | 29432948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29432948 | 10.1016/j.ejmech.2018.01.049 | PBMC | 5 |
Data from ChEMBL 36 via Core Engine