Compound Detail
CHEMBL3734777
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CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3734777 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RTBBZNOSANWPBI-ZPJKPQIISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1188.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL1075311 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 550.0 | nM | 6.26 | Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as sub... | 26536069 |
| Serine protease 1 | Ki | = | 20700.0 | nM | 4.68 | Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p... | 26536069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Urokinase-type plasminogen activator | 4 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Plasma kallikrein | 3 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Plasminogen | 2 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Prothrombin | 2 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Tissue-type plasminogen activator | 2 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Serine protease 1 | 1 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Coagulation factor XI | 1 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Kallikrein-1 | 1 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Vitamin K-dependent protein C | 1 |
| 26536069 | 10.1021/acs.jmedchem.5b01128 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine