Compound Detail
CHEMBL372950
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
Cc1c(CCOc2ccc(C(=O)O)cc2)c2cc(N3CCOCC3)ccc2n1C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL372950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXINXELDYOYJFG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
6.74
ALogP
5
HBA
1
HBD
63.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of cytosolic phospholipase A2-alpha in GLU micelle assay | 16392799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392799 | 10.1021/jm0507882 | Cytosolic phospholipase A2 | 1 |
| 16392799 | 10.1021/jm0507882 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine