Compound Detail
CHEMBL2373044
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCN=C(N)N
Basic Information
| ChEMBL ID | CHEMBL2373044 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZXRMYKJEEMKDBR-IHPCNDPISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
-0.29
ALogP
6
HBA
6
HBD
189.0
PSA (Ų)
0.09
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2323 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Plasma kallikrein CHEMBL2000 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Plasminogen CHEMBL2957 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate | 8478905 |
| Plasma kallikrein | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate | 8478905 |
| Prothrombin | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrat... | 8478905 |
| Plasminogen | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide 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