Compound Detail
CHEMBL5287333
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CC(=O)NC1CSCc2cc3cc(c2)CSC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCN2C(=O)C(Cc2ccccc2)NC(=O)C(CO)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5287333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NATBJNOLJXJRBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1656.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Plasma kallikrein CHEMBL4105792 | Ki | 8.18 | 8.18 | 6.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | Ki | = | 2.9 | nM | 8.54 | Inhibition of human plasmin using H-d-VLK-AM as substrate assessed as inhibition... | 32066009 |
| Plasma kallikrein | Ki | = | 6.6 | nM | 8.18 | 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