Compound Detail
CHEMBL2373440
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CC(C)(C)CC(=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 | CHEMBL2373440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZMQVFWUMDZRLA-SFZNBDKLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
606.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Prothrombin CHEMBL204 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.83 | 5.83 | 1490.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 2.7 | nM | 8.57 | Inhibition of trypsin | 9871540 |
| Prothrombin | Ki | = | 33.0 | nM | 7.48 | Inhibition against human thrombin | 9871540 |
| Unchecked | Ki | = | 1490.0 | nM | 5.83 | Compound was tested for inhibition against tissue factor. | 9871540 |
| Coagulation factor X | Ki | = | 4300.0 | nM | 5.37 | Inhibition against human coagulation factor Xa | 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 |
| 9871540 | 10.1016/s0960-894x(98)00104-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine