Compound Detail
CHEMBL274473
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Basic Information
| ChEMBL ID | CHEMBL274473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPMVBXDFUCFRLF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.33
ALogP
4
HBA
0
HBD
47.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.92 | 6.715 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human cyclooxygenase-2 (hCOX-2) enzyme. | 10328306 |
| Prostaglandin G/H synthase 2 | IC50 | = | 310.0 | nM | 6.51 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328306 | 10.1016/s0960-894x(99)00158-4 | Prostaglandin G/H synthase 1 | 1 |
| 10328306 | 10.1016/s0960-894x(99)00158-4 | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine