Compound Detail
CHEMBL76154
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL76154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICJTVRXTYOYEOT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
3.67
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.63 | 6.63 | 234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]ara... | 17434872 |
| Prostaglandin G/H synthase 2 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]ara... | 17434872 |
| Prostaglandin G/H synthase 1 | IC50 | = | 234.0 | nM | 6.63 | Inhibition of ovine COX1 for 17 mins pre-incubated before addition of [1-14C]ara... | 17434872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 2 | 4 |
| 2118185 | 10.1021/jm00171a008 | No relevant target | 2 |
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 1 | 2 |
| 2118185 | 10.1021/jm00171a008 | Cyclooxygenase | 1 |
| 2118185 | 10.1021/jm00171a008 | Rattus norvegicus | 1 |
| - | 10.1007/s00044-013-0771-5 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine