Molecule Details
| InChIKey | ASUGUQWIHMTFJL-QGZVFWFLSA-N |
|---|---|
| Compound Name | VX 509 |
| Canonical SMILES | CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12566 |
|---|---|
| Drug Name | Decernotinib |
| CAS Number | 944842-54-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Decernotinib has been used in trials studying the treatment of Drug Interactions and Rheumatoid Arthritis. |
Categories: Amino Acids Amino Acids, Branched-Chain Amino Acids, Peptides, and Proteins Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50021655 CHEMBL3039513 ChemSpider: 30843790 PDB: VJK PubChem:59422203 PubChem:347828789 Wikipedia: Decernotinib ZINC: ZINC000096941867
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.3 | Kd | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 7.2 | Kd | ChEMBL |
| P11388 | TOP2A | Homo sapiens | Human | PF00204 PF00521 PF08070 PF02518 PF01751 PF16898 | 7.2 | Kd | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.2 | Kd | ChEMBL |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.2 | Kd | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.0 | Kd | ChEMBL |
| Q9Y5S2 | CDC42BPB | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 | 6.9 | Kd | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.9 | Kd | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| Q02880 | TOP2B | Homo sapiens | Human | PF00204 PF00521 PF08070 PF02518 PF01751 PF16898 | 6.8 | Kd | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | Kd | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.2 | Kd | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.2 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | inhibitor | targets |