Compound Detail
CHEMBL386076
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Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)COC(=O)COCCOC(=O)CCCCC1SCC2NC(=O)NC21
Basic Information
| ChEMBL ID | CHEMBL386076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZJCFTIKUDUASD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
638.7
MW (Da)
4.06
ALogP
10
HBA
2
HBD
150.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.91 | 4.825 | 12370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 12370.0 | nM | 4.91 | Inhibition of TRAP activity in RANKL-induced osteoclastogenesis in RAW 264.7 cel... | 16872829 |
| RAW264.7 | IC50 | = | 18340.0 | nM | 4.74 | Antiproliferative activity against RAW 264.7 cells in RANKL-induced osteoclastog... | 16872829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16872829 | 10.1016/j.bmcl.2006.07.019 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine