Compound Detail
CHEMBL4556207
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
N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4556207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBGPBHRYFCMIPN-XIQIEEFNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1636.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Chymotrypsin CHEMBL4523987 | Ki | 6.04 | 6.04 | 920.0 | 1 |
| Cathepsin G CHEMBL4071 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | Ki | = | 54.0 | nM | 7.27 | Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells ... | 31855419 |
| Chymotrypsin | Ki | = | 920.0 | nM | 6.04 | Inhibition of human chymotrypsin using Suc-AAPF-MCA as substrate at pH 8 and 298... | 31855419 |
| Cathepsin G | Ki | = | 5200.0 | nM | 5.28 | Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate at pH 7.2 and 29... | 31855419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Chymase | 2 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Unchecked | 2 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Cathepsin G | 1 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Chymotrypsin | 1 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Kallikrein-7 | 1 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Neutrophil elastase | 1 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Prothrombin | 1 |
| 31855419 | 10.1021/acs.jmedchem.9b01811 | Coagulation factor XII | 1 |
Data from ChEMBL 36 via Core Engine