Compound Detail
CHEMBL199979
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(CCS(=O)(=O)CCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL199979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKEFGFHRBSXKTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
572.1
MW (Da)
7.14
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of TXB2 production in Sprague-Dawley rat whole blood | 16392799 |
| Cytosolic phospholipase A2 | IC50 | = | 93000.0 | nM | 4.03 | 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