Compound Detail
CHEMBL4745373
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O=C(c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4745373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPJBXXKOICXONK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
599.6
MW (Da)
2.84
ALogP
10
HBA
0
HBD
183.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 CHEMBL2364162 | IC50 | 5.19 | 5.19 | 6400.0 | 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 | = | 6400.0 | nM | 5.19 | Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bon... | 32955874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32955874 | 10.1021/acs.jmedchem.0c01316 | ADMET | 1 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | BMMC | 1 |
| 32955874 | 10.1021/acs.jmedchem.0c01316 | Tumor necrosis factor ligand superfamily member 11 | 1 |
Data from ChEMBL 36 via Core Engine