Compound Detail
CHEMBL4535881
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 | CHEMBL4535881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUSUAGWTYDFIBL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.78
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UO-31 CHEMBL614388 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.56 | 6.56 | 275.7 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.03 | 5.03 | 9370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UO-31 | IC50 | = | 5.759 | nM | 8.24 | Antiproliferative against human UO31 cells incubated for 24 hrs by MTT assay | 31539778 |
| Prostaglandin G/H synthase 2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human recombinant COX-2 by EIA method | 31539778 |
| Epidermal growth factor receptor | IC50 | = | 275.7 | nM | 6.56 | Inhibition of recombinant human GST-tagged EGFR catalytic domain (668 to 1210 re... | 31539778 |
| Prostaglandin G/H synthase 1 | IC50 | = | 9370.0 | nM | 5.03 | Inhibition of ovine COX-1 by EIA method | 31539778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31539778 | 10.1016/j.ejmech.2019.111693 | Prostaglandin G/H synthase 1 | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | Prostaglandin G/H synthase 2 | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | Unchecked | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | UO-31 | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine