Compound Detail
CHEMBL4176544
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 | CHEMBL4176544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZIMPXGOOSMCS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
3.77
ALogP
3
HBA
2
HBD
85.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 7.37 | 6.845 | 43.0 | 2 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Phospholipase A2 group V CHEMBL4323 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3)... | 30034585 |
| Group 10 secretory phospholipase A2 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3)... | 30034585 |
| Phospholipase A2, membrane associated | IC50 | = | 890.0 | nM | 6.05 | Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3)... | 30034585 |
| Phospholipase A2 group V | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of recombinant human sPLA2-5 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