Compound Detail
CHEMBL110949
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Basic Information
| ChEMBL ID | CHEMBL110949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIMOSWSBTHUBTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.48
ALogP
5
HBA
1
HBD
98.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of TNF-alpha production in LPS stimulated human PBMCs | 8765505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765505 | 10.1021/jm9603328 | Tumor necrosis factor | 1 |
Data from ChEMBL 36 via Core Engine