Compound Detail
CHEMBL353712
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CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL353712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CETVCAHONSWCPC-YPCYPUGUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
618.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 1.7 | nM | 8.77 | Tested for the binding affinity against thrombin | - |
| Serine protease 1 | Ki | = | 20.0 | nM | 7.7 | Tested for selectivity against trypsin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00584-7 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(96)00584-7 | Serine protease 1 | 1 |
| - | 10.1016/S0960-894X(96)00584-7 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine