Compound Detail
CHEMBL298276
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Basic Information
| ChEMBL ID | CHEMBL298276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYVVCQVQZLFQOJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
142.2
MW (Da)
0.88
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Cathepsin G CHEMBL4071 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Serine protease 1 CHEMBL3769 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 58.0 | nM | 7.24 | Compound was evaluated for its inhibitory activity against human neutrophil elas... | 11425539 |
| Chymotrypsin-C | IC50 | = | 740.0 | nM | 6.13 | Compound was evaluated for its inhibitory activity against bovine pancreatic alp... | 11425539 |
| Cathepsin G | IC50 | = | 740.0 | nM | 6.13 | Compound was evaluated for its inhibitory activity against human cathepsin G | 11425539 |
| Prothrombin | IC50 | = | 5600.0 | nM | 5.25 | Compound was evaluated for its inhibitory activity against human thrombin | 11425539 |
| Serine protease 1 | IC50 | = | 39000.0 | nM | 4.41 | Compound was evaluated for its inhibitory activity against bovine pancreatic try... | 11425539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Chymase | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Chymotrypsin-C | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Cathepsin G | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Neutrophil elastase | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Prothrombin | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Serine protease 1 | 1 |
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine