Molecule Details
| InChIKey | FYSRKRZDBHOFAY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vx-702 |
| Canonical SMILES | NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05470 |
|---|---|
| Drug Name | VX-702 |
| CAS Number | 745833-23-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | VX-702 is a small molecule investigational oral anti-cytokine therapy for treatment of inflammatory diseases, specifically rheumatoid arthritis (RA). It acts as a p38 MAP kinase inhibitor. In the future, VX-702 may be investigated for combination with methotrexate, a commonly used therapy for RA. |
Categories: Amides Benzene Derivatives
Cross-references: BindingDB: 50314071 ChEBI: 94489 CHEMBL1090090 ChemSpider: 8516613 PubChem:10341154 PubChem:347827732 ZINC: ZINC000036377992
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 9.5 | Kd | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.7 | Kd | ChEMBL |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 8.5 | Kd | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 8.4 | Kd | ChEMBL;BindingDB |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL;BindingDB |
| Q13705 | ACVR2B | Homo sapiens | Human | PF01064 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9UBE8 | NLK | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |