Compound Detail
CHEMBL240132
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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](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc3ccccc3c1)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 | CHEMBL240132 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OZYNGZRNLAJGGF-WYBOVAMQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1563.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 450.0 | nM | 6.35 | Inhibition of human matriptase | 17985858 |
| Prothrombin | Ki | = | 16300.0 | nM | 4.79 | Inhibition of bovine thrombin | 17985858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17985858 | 10.1021/jm0704898 | Suppressor of tumorigenicity 14 protein | 1 |
| 17985858 | 10.1021/jm0704898 | Prothrombin | 1 |
| 17985858 | 10.1021/jm0704898 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine