Compound Detail
CHEMBL473946
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Basic Information
| ChEMBL ID | CHEMBL473946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COPANKICKKUPAC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
4.49
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2860 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptad... | 19097798 |
| Prostaglandin G/H synthase 2 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of COX2 in LPS-stimulated human blood | 19097798 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of 5LOX in bovine polymorphonuclear leucocytes assessed as leukotrien... | 19097798 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097798 | 10.1016/j.bmc.2008.11.074 | Unchecked | 2 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 1 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 2 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | NON-PROTEIN TARGET | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine