Compound Detail
CHEMBL462224
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Basic Information
| ChEMBL ID | CHEMBL462224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJJGQOOKFTZAPT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
1.60
ALogP
7
HBA
2
HBD
120.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of potato LOX5 by enzyme immuno assay | 18945614 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of ovine COX2 by enzyme immuno assay | 18945614 |
| Prostaglandin G/H synthase 1 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of ovine COX1 by enzyme immuno assay | 18945614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18945614 | 10.1016/j.bmcl.2008.10.009 | Prostaglandin G/H synthase 1 | 1 |
| 18945614 | 10.1016/j.bmcl.2008.10.009 | Prostaglandin G/H synthase 2 | 1 |
| 18945614 | 10.1016/j.bmcl.2008.10.009 | Unchecked | 1 |
| 18945614 | 10.1016/j.bmcl.2008.10.009 | Rattus norvegicus | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine