Compound Detail
CHEMBL3736473
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CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3736473 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KERRERRJNCDROY-FPUIQZHASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1244.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | Ki | = | 64.0 | nM | 7.19 | Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroa... | 26536069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Urokinase-type plasminogen activator | 2 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Plasma kallikrein | 1 |
Data from ChEMBL 36 via Core Engine