Compound Detail
CHEMBL5192908
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 | CHEMBL5192908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBAICMYWONZOSZ-KTXUZGJCSA-N |
| Parent Compound | CHEMBL3427203 |
| Active Moiety | CHEMBL3427203 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.96
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human COX1 | 34905377 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human COX2 | 34905377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905377 | 10.1021/acs.jmedchem.1c01571 | ADMET | 2 |
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Unchecked | 1 |
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Prostaglandin G/H synthase 1 | 1 |
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine