Compound Detail
CHEMBL5284383
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C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C/C(C)=C/Cl)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5284383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWLDDHHTMAJFMM-LKVOOIPRSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1021.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 9.14 | 8.25 | 0.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.92 | 7.835 | 1.2 | 4 |
| Kallikrein-7 CHEMBL2443 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 0.73 | nM | 9.14 | Inhibition of elastase in human neutrophil using MeOSuc-AAPV-AMC as substrate by... | 33002682 |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Inhibition of porcine pancreatic elastase | 33002682 |
| Kallikrein-7 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant kallikrein 7 (23 to 252 residues) using MCA-RPKP... | 33002682 |
| Unchecked | IC50 | = | 12.3 | nM | 7.91 | Inhibition of Tritirachium album limber Proteinase K using H-D-CHA -Ala-Arg-AMC.... | 33002682 |
| Unchecked | IC50 | = | 31.3 | nM | 7.5 | Inhibition of Bacillus licheniformis Proteinase A using Z-GPR-AMC as substrate b... | 33002682 |
| Neutrophil elastase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of elastase in human neutrophil using N-(OMe-succinyl)-Ala-Ala-Pro-Va... | 33002682 |
| Unchecked | IC50 | = | 97.4 | nM | 7.01 | Inhibition of chymotrypsin in bovine pancreas using Suc-AAPF-AMC as substrate by... | 33002682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33002682 | 10.1016/j.bmc.2020.115756 | Unchecked | 7 |
| 33002682 | 10.1016/j.bmc.2020.115756 | Neutrophil elastase | 5 |
| 33002682 | 10.1016/j.bmc.2020.115756 | Kallikrein-7 | 2 |
Data from ChEMBL 36 via Core Engine