Compound Detail
CHEMBL4280147
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Basic Information
| ChEMBL ID | CHEMBL4280147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAQMYQIRBQJXRG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
4.00
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | IC50 | = | 540.0 | nM | 6.27 | Inhibition of TNFalpha (unknown origin)-induced adhesion of BCECF fluorescence-l... | 30151084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30151084 | 10.1039/C8MD00156A | HT-29 | 3 |
| 30151084 | 10.1039/C8MD00156A | Tumor necrosis factor | 1 |
Data from ChEMBL 36 via Core Engine