Compound Detail
CHEMBL2373302
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CC1(C)[C@@H]2C[C@H]3OB([C@H](CCCCN)NC(=O)Cn4nc(CNS(=O)(=O)C(F)(F)F)nc4Cc4ccccc4)O[C@@]3(C)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL2373302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDSNEDZTXHWRDJ-AWZWVWSRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
640.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 210.0 | nM | 6.68 | Inhibition against human thrombin | 9871540 |
| Unchecked | Ki | = | 3700.0 | nM | 5.43 | 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