Compound Detail
CHEMBL5281609
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
CC(C)C(=O)c1cn(CC(=O)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL5281609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNGAWKFRLWIGNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
5.68
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Inhibition of porcine cytosolic phospholipase A2 alpha using SAPC and 2-dioleoyl... | 36495814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36495814 | 10.1016/j.bmc.2022.117110 | ADMET | 2 |
| 36495814 | 10.1016/j.bmc.2022.117110 | Unchecked | 1 |
| 36495814 | 10.1016/j.bmc.2022.117110 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine