Compound Detail
CHEMBL4569923
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4569923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNIDBHORVMQSDP-UFUSHNEESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
1618.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 10.39 | 10.39 | 0.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Cathepsin G CHEMBL4071 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | Ki | = | 0.041 | nM | 10.39 | Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins | 30520638 |
| Serine protease 1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of bovine cationic trypsin using Bz-FVR-pNA as substrate after 30 min... | 30520638 |
| Cathepsin G | Ki | = | 13000.0 | nM | 4.89 | Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins | 30520638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Serine protease 1 | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Plasminogen | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Cathepsin G | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Coagulation factor IX | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Coagulation factor X | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Coagulation factor XII | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Prothrombin | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Tissue-type plasminogen activator | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Urokinase-type plasminogen activator | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Coagulation factor XI | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Plasma kallikrein | 1 |
| 30520638 | 10.1021/acs.jmedchem.8b01139 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine