Compound Detail
CHEMBL5284671
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CC(N)C(=O)NC1CSCc2cc3cc(c2)CSC(C(=O)NC(C)C(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(C(C)O)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5284671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJBURJCQSMMNIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1879.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL4105792 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | Ki | = | 2.9 | nM | 8.54 | Inhibition of rat recombinant plasma kallikrein using Z-FR-AMC as substrate asse... | 32066009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32066009 | 10.1016/j.ejmech.2020.112137 | Plasma kallikrein | 1 |
| 32066009 | 10.1016/j.ejmech.2020.112137 | Plasminogen | 1 |
| 32066009 | 10.1016/j.ejmech.2020.112137 | Prothrombin | 1 |
| 32066009 | 10.1016/j.ejmech.2020.112137 | Coagulation factor XI | 1 |
| 32066009 | 10.1016/j.ejmech.2020.112137 | Coagulation factor XII | 1 |
Data from ChEMBL 36 via Core Engine