Compound Detail
CHEMBL1078682
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 | CHEMBL1078682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVNZBHXFSZYCEW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.21
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.6 | 4.6 | 25240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 25240.0 | nM | 4.6 | Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme im... | 19791801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19791801 | 10.1021/jm900702b | Prostaglandin G/H synthase 1 | 1 |
| 19791801 | 10.1021/jm900702b | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine