Compound Detail
CHEMBL3939358
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 | CHEMBL3939358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQYUUCYOTLSMRU-GPQLQYNLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
4.76
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 6.3 | 6.3 | 506.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | EC50 | = | 506.0 | nM | 6.3 | Agonist activity at human recombinant TP receptor expressed in HEK293 cells asse... | - |
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 13100.0 | nM | 4.88 | Displacement of [3H]PGE2 from from human EP4 receptor expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine