Compound Detail
CHEMBL2373045
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Basic Information
| ChEMBL ID | CHEMBL2373045 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OTTJZKCAGFGFNW-ULQDDVLXSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
0.49
ALogP
5
HBA
4
HBD
130.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2323 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Plasminogen CHEMBL2957 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Serine protease 1 CHEMBL3769 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate | 8478905 |
| Plasminogen | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate | 8478905 |
| Serine protease 1 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate | 8478905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478905 | 10.1021/jm00060a016 | Serine protease 1 | 1 |
| 8478905 | 10.1021/jm00060a016 | Plasma kallikrein | 1 |
| 8478905 | 10.1021/jm00060a016 | Prothrombin | 1 |
| 8478905 | 10.1021/jm00060a016 | Plasminogen | 1 |
| 8478905 | 10.1021/jm00060a016 | Cathepsin B | 1 |
| 37972434 | 10.1016/j.bmc.2023.117531 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine