Molecule Details
| InChIKey | LWMFNMXXGFQOGG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[4-[2-[[1-[2-(1,1-Dioxo-1,4-thiazinan-4-yl)acetyl]-2,3-dihydroindol-5-yl]amino]-5-fluoropyrimidin-4-yl]pyrazol-1-yl]propanenitrile |
| Canonical SMILES | N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4C(=O)CN3CCS(=O)(=O)CC3)ncc2F)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.7 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.8 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.6 | IC50 | ChEMBL;BindingDB |