Compound Detail
CHEMBL2373050
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Basic Information
| ChEMBL ID | CHEMBL2373050 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GRTWEYRCFAVSEC-ULQDDVLXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
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 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2323 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl 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 |
Data from ChEMBL 36 via Core Engine