Compound Detail
CHEMBL313460
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
Basic Information
| ChEMBL ID | CHEMBL313460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSSJAUQTHYWASI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
7.87
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL2304401 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against cPLA2 (cytosolic Phospholipase A2) by measuring the ... | 9276015 |
| Homo sapiens | IC50 | = | 2500.0 | nM | 5.6 | Cytosolic phospholipase A2 (c-PLA2) inhibitory potency of the compound was evalu... | 11551751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276015 | 10.1021/jm960863w | Bos taurus | 1 |
| 9276015 | 10.1021/jm960863w | Cytosolic phospholipase A2 | 1 |
| 11551751 | 10.1016/s0960-894x(01)00472-3 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine