Compound Detail
CHEMBL2373345
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CC(C)(C)OC(=O)/C=C/c1nc(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 | CHEMBL2373345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMEJXWSFZAAYQP-REPUODOGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
605.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Coagulation factor VII CHEMBL3991 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 36.0 | nM | 7.44 | Inhibition of trypsin | 9871540 |
| Prothrombin | Ki | = | 150.0 | nM | 6.82 | Inhibition against human thrombin | 9871540 |
| Coagulation factor VII | Ki | = | 2700.0 | nM | 5.57 | Inhibition against human Coagulation factor VII | 9871540 |
| Unchecked | Ki | = | 2800.0 | nM | 5.55 | Compound was tested for inhibition against tissue factor. | 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