Compound Detail
CHEMBL310133
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Basic Information
| ChEMBL ID | CHEMBL310133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANAUDZOIXHBUAB-RQJHMYQMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.65
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 2A CHEMBL3888 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Chymotrypsin-like elastase family member 2A CHEMBL2407 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 2A | IC50 | = | 11000.0 | nM | 4.96 | The compound was evaluated in vitro for the inhibition of rat leukocyte elastase... | - |
| Chymotrypsin-like elastase family member 2A | IC50 | = | 26000.0 | nM | 4.58 | The compound was evaluated in vitro for the inhibition of pancreatitic porcine e... | - |
| Neutrophil elastase | IC50 | = | 94000.0 | nM | 4.03 | The compound was evaluated in vitro for the inhibition of human leukocyte elasta... | - |
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