Compound Detail
CHEMBL4289245
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Basic Information
| ChEMBL ID | CHEMBL4289245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMRKTLQGAWYADU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.7
MW (Da)
2.39
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
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 |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2790.0 | nM | 5.55 | Inhibition of LPS-induced PGE2 production in C57BL6 mouse peritoneal cells measu... | 30006172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006172 | 10.1016/j.ejmech.2018.07.010 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine