Compound Detail
CHEMBL4778232
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Basic Information
| ChEMBL ID | CHEMBL4778232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFVADCRXDVRGHS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
7.74
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Kd 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | Kd | 7.13 | 7.13 | 74.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | Kd | = | 74.0 | nM | 7.13 | Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expr... | 33378180 |
| Tumor necrosis factor | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by ... | 33378180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33378180 | 10.1021/acs.jmedchem.0c01280 | Tumor necrosis factor | 6 |
Data from ChEMBL 36 via Core Engine