Compound Detail
CHEMBL3741922
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Basic Information
| ChEMBL ID | CHEMBL3741922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABRKOZFHEAEXMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.19
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 CHEMBL2364162 | Kd | 5.45 | 5.45 | 3550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 | Kd | = | 3550.0 | nM | 5.45 | Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317... | 32955874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00023H | Tumor necrosis factor | 3 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | Tumor necrosis factor ligand superfamily member 11 | 2 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | BMMC | 1 |
Data from ChEMBL 36 via Core Engine