Compound Detail
CHEMBL504746
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
CCN(CC)Cc1ccccc1CS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL504746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYODBIKHQLRWRN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
762.4
MW (Da)
9.31
ALogP
5
HBA
2
HBD
91.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Blood CHEMBL613615 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human cytosolic PLA2alpha by GLU micelle assay | 19178292 |
| Blood | IC50 | = | 37.0 | nM | 7.43 | Inhibition of A23187-induced TBX2 release in Sprague-Dawley rat whole blood | 19178292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19178292 | 10.1021/jm8009876 | Cytosolic phospholipase A2 | 1 |
| 19178292 | 10.1021/jm8009876 | Blood | 1 |
Data from ChEMBL 36 via Core Engine