Compound Detail
CHEMBL2373408
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CC1(C)[C@@H]2C[C@H]3OB([C@H](CCCCN)NC(=O)Cn4nc(CC#N)nc4CCc4ccccc4)O[C@@]3(C)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL2373408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MURLAVKNQRRIBB-UMWNSNATSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 2.6 | nM | 8.59 | Inhibition against human thrombin | 9871540 |
| Serine protease 1 | Ki | = | 12.0 | nM | 7.92 | Inhibition of trypsin | 9871540 |
| Unchecked | Ki | = | 6800.0 | nM | 5.17 | Compound was tested for inhibition against Coagulation factor I | 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