Compound Detail
CHEMBL101972
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Basic Information
| ChEMBL ID | CHEMBL101972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKGBBIAHTLSMHL-HSZRJFAPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
6.12
ALogP
5
HBA
3
HBD
105.1
PSA (Ų)
0.12
QED
1
Ro5 Violations
23
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, major isoenzyme CHEMBL4715 | IC50 | 7.52 | 6.55 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, major isoenzyme | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeri... | 1501221 |
| Phospholipase A2, major isoenzyme | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycho... | 1501221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501221 | 10.1021/jm00094a003 | Phospholipase A2, major isoenzyme | 2 |
Data from ChEMBL 36 via Core Engine