Compound Detail
CHEMBL328837
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Basic Information
| ChEMBL ID | CHEMBL328837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJVLFULBBXMDBS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
5.39
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.82 | 7.385 | 15.0 | 4 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.92 | 5.6 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expre... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of COX-2 (unknown origin) | 30396033 |
| Prostaglandin G/H synthase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cell... | 30396033 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 1 expre... | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Prostaglandin G/H synthase 2 | 2 |
| - | 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 |
| - | 10.1016/0960-894X(95)00512-R | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00512-R | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00512-R | Cyclooxygenase | 1 |
| - | 10.1016/0960-894X(95)00512-R | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine