Compound Detail
CHEMBL3810057
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 | CHEMBL3810057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFRCXEHNAFUTQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
0.11
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant COX2 assessed as reduction in PGH2-derived PGF2a... | 27019010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27019010 | 10.1021/acs.jmedchem.6b00134 | Prostaglandin G/H synthase 2 | 1 |
| 27019010 | 10.1021/acs.jmedchem.6b00134 | Prostaglandin G/H synthase 1 | 1 |
| 27019010 | 10.1021/acs.jmedchem.6b00134 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine