Compound Detail
CHEMBL521440
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Basic Information
| ChEMBL ID | CHEMBL521440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSBRFVFAOXGWNY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.05
ALogP
4
HBA
0
HBD
56.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3400.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of potato LOX5 | 19136259 |
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human recombinant COX2 by enzyme immuno assay | 19136259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19136259 | 10.1016/j.bmcl.2008.12.066 | Rattus norvegicus | 1 |
| 19136259 | 10.1016/j.bmcl.2008.12.066 | Unchecked | 1 |
| 19136259 | 10.1016/j.bmcl.2008.12.066 | Prostaglandin G/H synthase 2 | 1 |
| 19136259 | 10.1016/j.bmcl.2008.12.066 | Prostaglandin G/H synthase 1 | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine