Compound Detail
CHEMBL4756975
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Basic Information
| ChEMBL ID | CHEMBL4756975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGZGREJALKBYGX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.55
ALogP
7
HBA
0
HBD
75.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Kd 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 CHEMBL2364162 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Tumor necrosis factor ligand superfamily member 11 CHEMBL2364162 | Kd | 5.28 | 5.28 | 5240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bon... | 32955874 |
| Tumor necrosis factor ligand superfamily member 11 | Kd | = | 5240.0 | nM | 5.28 | Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317... | 32955874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32955874 | 10.1021/acs.jmedchem.0c01316 | Tumor necrosis factor ligand superfamily member 11 | 8 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | Unchecked | 1 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | ADMET | 1 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | BMMC | 1 |
Data from ChEMBL 36 via Core Engine