Compound Detail
CHEMBL247870
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Basic Information
| ChEMBL ID | CHEMBL247870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYMUVBYHTHIZDZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.23
ALogP
6
HBA
0
HBD
88.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.08 | 120.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of COX2 in canine whole blood | 17126015 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of COX2 in dog whole blood assessed as production of PGE2 | 18182290 |
| Unchecked | IC50 | = | 5820.0 | nM | 5.24 | Inhibition of COX1 in canine whole blood | 17126015 |
| Unchecked | IC50 | = | 5820.0 | nM | 5.24 | Inhibition of COX1 in dog whole blood assessed as production of TBX2 by EIA | 18182290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17126015 | 10.1016/j.bmcl.2006.11.026 | Unchecked | 4 |
| 18182290 | 10.1016/j.bmcl.2007.12.025 | Unchecked | 3 |
| 17126015 | 10.1016/j.bmcl.2006.11.026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine