Molecule Details
| InChIKey | JXHWVKOKYDAROD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(6-Chloro-3-((2,2-difluoro-2-(2-pyridinyl)ethyl)amino)-2-oxo-1(2H)-pyrazinyl)-N-((2-fluoro-6-pyridinyl)methyl)acetamide |
| Canonical SMILES | Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07548 |
|---|---|
| Drug Name | 2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide |
| CAS Number | 312904-60-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50123491 CHEMBL141889 ChemSpider: 394375 PDB: CDA PubChem:447219 PubChem:99444019 ZINC: ZINC000000602992
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 8.4 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00734 | F2 | Prothrombin | binder | targets |