Compound Detail
CHEMBL462911
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Basic Information
| ChEMBL ID | CHEMBL462911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXWZFMCFBPXXFF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.6
MW (Da)
6.51
ALogP
4
HBA
1
HBD
20.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 7.2 | nM | 8.14 | Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect ... | 19056264 |
| Prostaglandin G/H synthase 1 | IC50 | = | 3640.0 | nM | 5.44 | Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 product... | 19056264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056264 | 10.1016/j.bmcl.2008.11.045 | Prostaglandin G/H synthase 2 | 1 |
| 19056264 | 10.1016/j.bmcl.2008.11.045 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine