Compound Detail
CHEMBL4172222
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Basic Information
| ChEMBL ID | CHEMBL4172222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNHKROMVTCPFIM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
3.40
ALogP
3
HBA
2
HBD
85.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 7.05 | 6.505 | 90.0 | 2 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3)... | 30034585 |
| Group 10 secretory phospholipase A2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3)... | 30034585 |
| Phospholipase A2, membrane associated | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3)... | 30034585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034585 | 10.1021/acsmedchemlett.7b00505 | Group 10 secretory phospholipase A2 | 2 |
| 30034585 | 10.1021/acsmedchemlett.7b00505 | Phospholipase A2, membrane associated | 1 |
| 30034585 | 10.1021/acsmedchemlett.7b00505 | Phospholipase A2 group V | 1 |
Data from ChEMBL 36 via Core Engine