Compound Detail
CHEMBL4213633
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Basic Information
| ChEMBL ID | CHEMBL4213633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLQYRNJPPJMNEU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
2.30
ALogP
6
HBA
2
HBD
112.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-... | 30034586 |
| Group 10 secretory phospholipase A2 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-... | 30034586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034586 | 10.1021/acsmedchemlett.7b00507 | Group 10 secretory phospholipase A2 | 2 |
| 30034586 | 10.1021/acsmedchemlett.7b00507 | Phospholipase A2, membrane associated | 1 |
| 30034586 | 10.1021/acsmedchemlett.7b00507 | Phospholipase A2 group V | 1 |
| 30034586 | 10.1021/acsmedchemlett.7b00507 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine