Compound Detail
CHEMBL3335186
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Basic Information
| ChEMBL ID | CHEMBL3335186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RILBUYJUPYFREN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.7
MW (Da)
2.74
ALogP
4
HBA
0
HBD
52.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.15 | 5.09 | 7100.0 | 3 |
| Tumor necrosis factor ligand superfamily member 11 CHEMBL3596084 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of RANKL-induced osteoclastogenesis in mouse RAW264.7 cells assessed ... | 25200306 |
| RAW264.7 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of RANKL-induced osteoclast differentiation in mouse RAW264.7 cells a... | 27089213 |
| RAW264.7 | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of RANKL-induced osteoclastogenesis in mouse RAW264.7 cells assessed ... | 25200306 |
| Tumor necrosis factor ligand superfamily member 11 | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 ce... | 26081760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25200306 | 10.1021/jm5007897 | RAW264.7 | 23 |
| 27089213 | 10.1016/j.ejmech.2016.04.007 | RAW264.7 | 5 |
| 25200306 | 10.1021/jm5007897 | ADMET | 2 |
| 26081760 | 10.1016/j.bmc.2015.06.007 | Tumor necrosis factor ligand superfamily member 11 | 1 |
Data from ChEMBL 36 via Core Engine