Compound Detail
CHEMBL485601
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 | CHEMBL485601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVIACUNLZKXFJC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.8
MW (Da)
9.32
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL5761 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3686 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Phospholipase A2 group V CHEMBL4323 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Phospholipase A2 group V CHEMBL4167 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 60.0 | nM | 7.22 | Inhibition of mouse sPLA2 group 2A | 18818074 |
| Phospholipase A2, membrane associated | IC50 | = | 80.0 | nM | 7.1 | Inhibition of rat sPLA2 group 2A | 18818074 |
| Phospholipase A2 group V | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human sPLA2 group 5 | 18818074 |
| Phospholipase A2, membrane associated | IC50 | = | 690.0 | nM | 6.16 | Inhibition of human sPLA2 group 2A | 18818074 |
| Phospholipase A2 group V | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of mouse sPLA2 group 5 | 18818074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18818074 | 10.1016/j.bmcl.2008.09.041 | Phospholipase A2, membrane associated | 3 |
| 18818074 | 10.1016/j.bmcl.2008.09.041 | Phospholipase A2 group V | 2 |
| 18818074 | 10.1016/j.bmcl.2008.09.041 | Group 10 secretory phospholipase A2 | 2 |
Data from ChEMBL 36 via Core Engine