Molecule Details
| InChIKey | BOIPLTNGIAPDBY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chs-828 |
| Canonical SMILES | N#CN=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12980 |
|---|---|
| Drug Name | CHS-828 |
| CAS Number | 200484-11-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | CHS-828 has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific. |
Categories: Amidines Anions Electrolytes Ions Nitrogen Compounds
Cross-references: BindingDB: 50435350 ChEBI: 95016 CHEMBL17289 ChemSpider: 130648 PDB: 2QG PubChem:148198 PubChem:347829119 ZINC: ZINC000013282570
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43490 | NAMPT | Homo sapiens | Human | PF18127 PF04095 | 8.7 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.9 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.6 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P43490 | NAMPT | Nicotinamide phosphoribosyltransferase | inhibitor | targets |