Compound Detail
CHEMBL1089959
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Basic Information
| ChEMBL ID | CHEMBL1089959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQSITNTVRUSOMI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
203.1
MW (Da)
0.87
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of potato 5LOX by enzyme immuno assay | 20202839 |
| Prostaglandin G/H synthase 2 | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of human recombinant COX2 by enzyme immuno assay | 20202839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20202839 | 10.1016/j.bmcl.2010.02.040 | Prostaglandin G/H synthase 1 | 1 |
| 20202839 | 10.1016/j.bmcl.2010.02.040 | Prostaglandin G/H synthase 2 | 1 |
| 20202839 | 10.1016/j.bmcl.2010.02.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine