Compound Detail
CHEMBL277721
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 | CHEMBL277721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBVRYNOHSCGZRP-LCYFTJDESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.94
ALogP
5
HBA
3
HBD
81.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 170.0 | nM | 6.77 | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell ... | 10197959 |
| Cyclooxygenase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of prostaglandin G/H synthase in intact rat basophilic leukemia cells... | 8295221 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1500.0 | nM | 5.82 | IC50 against recombinant human Prostaglandin G/H synthase 2 | 10197959 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated ... | 8295221 |
| Prostaglandin G/H synthase 1 | IC50 | = | 9200.0 | nM | 5.04 | IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma | 10197959 |
| Prostaglandin G/H synthase 1 | IC50 | = | 52000.0 | nM | 4.28 | IC50 against ovine Prostaglandin G/H synthase 1 | 10197959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 2 | 2 |
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 1 | 2 |
| 8295221 | 10.1021/jm00028a017 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Cyclooxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine