Compound Detail
CHEMBL2373346
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CC(C)C(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1
Basic Information
| ChEMBL ID | CHEMBL2373346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSGGXQZFQUHUPY-IKNSMAACSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
578.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 9.6 | nM | 8.02 | Inhibition of trypsin | 9871540 |
| Prothrombin | Ki | = | 160.0 | nM | 6.8 | Inhibition against human thrombin | 9871540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871540 | 10.1016/s0960-894x(98)00104-8 | Prothrombin | 1 |
| 9871540 | 10.1016/s0960-894x(98)00104-8 | Serine protease 1 | 1 |
| 9871540 | 10.1016/s0960-894x(98)00104-8 | Coagulation factor VII | 1 |
| 9871540 | 10.1016/s0960-894x(98)00104-8 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine