Compound Detail
CHEMBL85693
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Basic Information
| ChEMBL ID | CHEMBL85693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AROPFZXJVVYVTM-AONBVXOQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.65
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Chymotrypsin-like elastase family member 2A CHEMBL2407 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 43000.0 | nM | 4.37 | The compound was evaluated in vitro for the inhibition of human leukocyte elasta... | - |
| Chymotrypsin-like elastase family member 2A | IC50 | = | 61000.0 | nM | 4.21 | The compound was evaluated in vitro for the inhibition of pancreatitic porcine e... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80714-9 | Chymotrypsin-like elastase family member 2A | 2 |
| - | 10.1016/S0960-894X(01)80714-9 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine