Compound Detail
CHEMBL4557877
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
CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4557877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNXBQIJUOJFKHW-ISDWHQCUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1493.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Myeloblastin CHEMBL3900 | Ki | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 3.2 | nM | 8.49 | Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate by fl... | 31413811 |
| Myeloblastin | Ki | = | 7.0 | nM | 8.15 | Inhibition of purified human proteinase 3 using MeOSuc-AAPV-MCA as substrate by ... | 31413811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Myeloblastin | 2 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Neutrophil elastase | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Cathepsin G | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Chymase | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Prothrombin | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Chymotrypsin | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | ADMET | 1 |
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine