Compound Detail
CHEMBL3769794
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Basic Information
| ChEMBL ID | CHEMBL3769794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVJNWONHYXBMJL-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
4.87
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL5761 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.84 | 6.84 | 143.0 | 1 |
| Phospholipase A2 group V CHEMBL4323 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 68.0 | nM | 7.17 | Inhibition of mouse group 2A secreted phospholipase A2 by fluorescence assay | 26970660 |
| Phospholipase A2, membrane associated | IC50 | = | 143.0 | nM | 6.84 | Inhibition of human group 2A secreted phospholipase A2 by fluorescence assay | 26970660 |
| Phospholipase A2 group V | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human group 5 secreted phospholipase A2 by fluorescence assay | 26970660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26970660 | 10.1016/j.bmc.2016.02.040 | Phospholipase A2, membrane associated | 4 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Phospholipase A2 group V | 2 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Group 10 secretory phospholipase A2 | 2 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Phospholipase A2 | 1 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Group IIE secretory phospholipase A2 | 1 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Group IIF secretory phospholipase A2 | 1 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Group IID secretory phospholipase A2 | 1 |
| 26970660 | 10.1016/j.bmc.2016.02.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine