Compound Detail
CHEMBL179658
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Basic Information
| ChEMBL ID | CHEMBL179658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCUWZUBFYRWFSA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.87
ALogP
5
HBA
2
HBD
111.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 8.15 | 8.02 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against human nonpancreatic secretory phospholipase A2 | 15689175 |
| Phospholipase A2, membrane associated | IC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against human nonpancreatic secretory phospholipase A2 | 15689175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689175 | 10.1021/jm0401309 | Phospholipase A2, membrane associated | 2 |
Data from ChEMBL 36 via Core Engine