Molecule Details
| InChIKey | DADAEARVGOQWHV-OSYLJGHBSA-N |
|---|---|
| Canonical SMILES | Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16660 |
|---|---|
| Drug Name | Izencitinib |
| CAS Number | 2051918-33-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Izencitinib is under investigation in clinical trial NCT03920254 (TD-1473 Long-term Safety (LTS) Ulcerative Colitis (UC) Study). |
Categories: Colitis, Ulcerative, drug therapy Heterocyclic Compounds, Fused-Ring
Cross-references: ChemSpider: 75536963
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | Ki | ChEMBL;BindingDB |