Compound Detail
CHEMBL120884
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Basic Information
| ChEMBL ID | CHEMBL120884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXCBFDIZFWLUII-YRNVUSSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.98
ALogP
6
HBA
1
HBD
100.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4426 | IC50 | 7.42 | 7.26 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic ... | 8809154 |
| Phospholipase A2 | IC50 | = | 80.0 | nM | 7.1 | 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