Compound Detail
CHEMBL41152
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Cc1cc(-c2ccccc2C(F)(F)F)ccc1C(=O)N[C@@H](CCCN=C(N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL41152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCUUOTWJAFUKOO-UYHYEMQQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.46 | nM | 9.34 | Inhibition of thrombin | - |
| Serine protease 1 | Ki | = | 3.1 | nM | 8.51 | Inhibition of trypsin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00254-0 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00254-0 | Serine protease 1 | 1 |
| - | 10.1016/S0960-894X(97)00254-0 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine