Compound Detail
CHEMBL489701
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Basic Information
| ChEMBL ID | CHEMBL489701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLJZUCRQXQYUTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
5.28
ALogP
5
HBA
0
HBD
34.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of 5LOX in bovine polymorphonuclear leucocytes assessed as leukotrien... | 19097798 |
| NON-PROTEIN TARGET | IC50 | = | 7000.0 | nM | 5.16 | Antioxidant activity assessed as hydroxyl radical scavenging activity | 19097798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 2 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Unchecked | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | NON-PROTEIN TARGET | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | MONO-MAC-6 | 1 |
Data from ChEMBL 36 via Core Engine