Compound Detail
CHEMBL338054
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Basic Information
| ChEMBL ID | CHEMBL338054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEQPXAXBHHRFKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.81
ALogP
4
HBA
2
HBD
94.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4426 | IC50 | 7.52 | 7.195 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic ... | 8809154 |
| Phospholipase A2 | IC50 | = | 135.0 | nM | 6.87 | Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2... | 8809154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809154 | 10.1021/jm960395q | Phospholipase A2 | 2 |
Data from ChEMBL 36 via Core Engine