Compound Detail
CHEMBL487103
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 | CHEMBL487103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZRLHLNWDYWUGQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
5.72
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.7 | 4.9 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PGE2 synthesis in human A549 cells | 18459759 |
| A549 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of PGE2alpha synthesis in human A549 cells | 18459759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459759 | 10.1021/jm800197b | A549 | 2 |
Data from ChEMBL 36 via Core Engine