Compound Detail
CHEMBL8973
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)Cc1cccc(-c2ccccc2C(C)C)c1O[C@@H]1C[C@@H](CNC(=O)c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL8973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBZDMABLBVIPO-UERFOIPISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
824.0
MW (Da)
9.46
ALogP
7
HBA
2
HBD
121.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay) | 10737736 |
| THP-1 | IC50 | = | 92.0 | nM | 7.04 | Inhibition of arachidonic acid production from THP-1 cells stimulated with A-231... | 10737736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737736 | 10.1021/jm9905155 | Cytosolic phospholipase A2 | 1 |
| 10737736 | 10.1021/jm9905155 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine