Compound Detail
CHEMBL4215786
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Basic Information
| ChEMBL ID | CHEMBL4215786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFFJAXDKBDMTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.9
MW (Da)
5.34
ALogP
8
HBA
2
HBD
118.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL4984 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of mouse recombinant TNF-alpha binding to antibody preincubated for 3... | 29173945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29173945 | 10.1016/j.bmcl.2017.11.026 | Tumor necrosis factor | 1 |
Data from ChEMBL 36 via Core Engine