Molecule Details
| InChIKey | FWXVGKSWZJEPQI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Top-1288 |
| Canonical SMILES | C#Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)n2)cc(C(=O)NCCOCCOCCOC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14839 |
|---|---|
| Drug Name | TOP-1288 |
| CAS Number | 1630202-02-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | TOP-1288 is under investigation in clinical trial NCT02888379 (Phase 2a Study to Evaluate the Safety/Tolerability and Efficacy of TOP1288 200 mg Rectal Solution Once Daily for 4 Weeks in Ulcerative Colitis). |
Cross-references: BindingDB: 142019 CHEMBL3681949 ChemSpider: 58930201 ZINC: ZINC000169711318
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | IC50 | ChEMBL;BindingDB |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.2 | IC50 | ChEMBL;BindingDB |