Compound Detail
CHEMBL3327093
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Basic Information
| ChEMBL ID | CHEMBL3327093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVNIGIMFRKDEPG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3545651 |
| Active Moiety | CHEMBL3545651 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
5.74
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as sup... | 25102418 |
| NON-PROTEIN TARGET | IC50 | = | 860.0 | nM | 6.07 | Antiinflammatory activity against C3H/HeN mouse abdominal cavity cells assessed ... | 25102418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25102418 | 10.1021/jm500494y | Cytosolic phospholipase A2 | 1 |
| 25102418 | 10.1021/jm500494y | No relevant target | 1 |
| 25102418 | 10.1021/jm500494y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine