Molecule Details
| InChIKey | OWCMVQFLPIOYNL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide |
| Canonical SMILES | Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 10.4 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.1 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.1 | IC50 | ChEMBL |