Compound Detail
CHEMBL4159694
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Basic Information
| ChEMBL ID | CHEMBL4159694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPKIQXQPEROQCO-XYOKQWHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.7
MW (Da)
3.87
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.79 | 5.79 | 1640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 1640.0 | nM | 5.79 | Inhibition of TNF-alpha-induced adhesion of BCECF-labeled human U937 cells to hu... | 28646757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28646757 | 10.1016/j.ejmech.2017.06.018 | HT-29 | 6 |
Data from ChEMBL 36 via Core Engine