Compound Detail
CHEMBL431292
CVS-2359 Enter ChEMBL ID:
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Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCN=C(N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL431292 |
| Name | CVS-2359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTGRXIGBXXVLEH-QGZVFWFLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
-0.14
ALogP
7
HBA
5
HBD
199.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 6.17 | 6.17 | 674.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.14 | nM | 9.85 | In vitro inhibitory constant against human thrombin (FIIa). | 11934589 |
| Serine protease 1 | Ki | = | 12.4 | nM | 7.91 | In vitro inhibitory constant against trypsin | 11934589 |
| Coagulation factor X | Ki | = | 674.0 | nM | 6.17 | In vitro inhibitory constant against factor Xa (FXa) was tested | 11934589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Prothrombin | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Coagulation factor X | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine