Compound Detail
CHEMBL3623792
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)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](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3623792 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KWSMBEJYQLCPRA-MFPJKNJCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1541.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 6.92 | 6.92 | 121.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.42 | 6.42 | 381.0 | 1 |
| Transmembrane protease serine 6 CHEMBL1795139 | Ki | 6.26 | 6.26 | 546.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | Ki | = | 0.03 | nM | 10.52 | Inhibition of beta-trypsin (unknown origin) using Bz-FVRpNA substrate by spectro... | 26393374 |
| Plasminogen | Ki | = | 121.0 | nM | 6.92 | Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA substrate by spectro... | 26393374 |
| Prothrombin | Ki | = | 381.0 | nM | 6.42 | Inhibition of alpha-thrombin (unknown origin) using Ac-ATPRpNA substrate by spec... | 26393374 |
| Transmembrane protease serine 6 | Ki | = | 546.0 | nM | 6.26 | Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrop... | 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