Compound Detail
CHEMBL4877313
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Basic Information
| ChEMBL ID | CHEMBL4877313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQWVPTXCPBSMKG-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.2
MW (Da)
3.04
ALogP
3
HBA
4
HBD
102.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-2 CHEMBL5880 | Kd | 6.6 | 6.6 | 250.0 | 1 |
| Albumin CHEMBL3253 | Kd | 6.54 | 6.54 | 290.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | Kd | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-2 | Kd | = | 250.0 | nM | 6.6 | Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay | 34821503 |
| Albumin | Kd | = | 290.0 | nM | 6.54 | Binding affinity to human serum albumin by fluorescence polarization assay | 34821503 |
| Tumor necrosis factor | Kd | = | 5100.0 | nM | 5.29 | Binding affinity to TNF (unknown origin) | 34821503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Interleukin-2 | 1 |
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Albumin | 1 |
| 34821503 | 10.1021/acs.jmedchem.1c01693 | Tumor necrosis factor | 1 |
Data from ChEMBL 36 via Core Engine