Compound Detail
CHEMBL3623789
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C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3623789 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JXQAMKZXLWPLIJ-SCTSYRJESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1354.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmembrane protease serine 6 CHEMBL1795139 | Ki | 7.06 | 7.06 | 87.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.55 | 5.55 | 2830.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmembrane protease serine 6 | Ki | = | 87.0 | nM | 7.06 | Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrop... | 26393374 |
| Trypsin | Ki | = | 2830.0 | nM | 5.55 | Inhibition of beta-trypsin (unknown origin) using Bz-FVRpNA substrate by spectro... | 26393374 |
| Plasminogen | Ki | = | 17100.0 | nM | 4.77 | Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA substrate by spectro... | 26393374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Prothrombin | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Plasminogen | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Trypsin | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Transmembrane protease serine 6 | 1 |
Data from ChEMBL 36 via Core Engine