Molecule Details
| InChIKey | VQIIUJSNIKEMCK-MHZLTWQESA-N |
|---|---|
| Compound Name | Nezulcitinib |
| Canonical SMILES | CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 10.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16463 |
|---|---|
| Drug Name | TD-0903 |
| CAS Number | 2412496-23-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | TD-0903 was investigated in clinical trials for its potential to treat acute lung injury (ALI) associated with COVID-19, including NCT04350736, NCT05091723 (a pharmacokinetics study in healthy participants with supplemental oxygenation), and NCT04402866 (focused on ALI and lung inflammation associat... |
Categories: Azetines Experimental Unapproved Treatments for COVID-19 Heterocyclic Compounds, Fused-Ring Pyrazoles
Cross-references: CHEMBL4802163 ChemSpider: 115009351
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.5 | Ki | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.2 | Ki | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.2 | Ki | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.1 | Ki | ChEMBL;BindingDB |