Compound Detail
CHEMBL4777805
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Basic Information
| ChEMBL ID | CHEMBL4777805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOQJCHQYCMRITA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.70
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 3.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | Kd | 3.98 | 3.98 | 106000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | Kd | = | 106000.0 | nM | 3.98 | Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expr... | 33378180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33378180 | 10.1021/acs.jmedchem.0c01280 | Tumor necrosis factor | 5 |
Data from ChEMBL 36 via Core Engine