Compound Detail
CHEMBL3629175
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Basic Information
| ChEMBL ID | CHEMBL3629175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKZDDUFFSFEDPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
5.42
ALogP
7
HBA
4
HBD
135.0
PSA (Ų)
0.07
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 11 CHEMBL3596084 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL5211 | IC50 | 5.76 | 5.76 | 1720.0 | 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 | = | 1310.0 | nM | 5.88 | Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induce... | 26432605 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1720.0 | nM | 5.76 | Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 min... | 26432605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26432605 | 10.1016/j.bmc.2015.09.025 | Tumor necrosis factor ligand superfamily member 11 | 13 |
| 26432605 | 10.1016/j.bmc.2015.09.025 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 26432605 | 10.1016/j.bmc.2015.09.025 | ADMET | 1 |
| 26432605 | 10.1016/j.bmc.2015.09.025 | NON-PROTEIN TARGET | 1 |
| 26432605 | 10.1016/j.bmc.2015.09.025 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine