Compound Detail
CHEMBL571658
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Basic Information
| ChEMBL ID | CHEMBL571658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBUKLJHVMCKPSH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.2
MW (Da)
2.31
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| 5-lipoxygenase CHEMBL3317 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of human recombinant COX-2 by enzyme immuno assay | 19884005 |
| 5-lipoxygenase | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay | 19884005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19884005 | 10.1016/j.bmcl.2009.10.083 | Rattus norvegicus | 3 |
| 19884005 | 10.1016/j.bmcl.2009.10.083 | Prostaglandin G/H synthase 2 | 1 |
| 19884005 | 10.1016/j.bmcl.2009.10.083 | Prostaglandin G/H synthase 1 | 1 |
| 19884005 | 10.1016/j.bmcl.2009.10.083 | Unchecked | 1 |
| 19884005 | 10.1016/j.bmcl.2009.10.083 | 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine