Molecule Details
| InChIKey | UCIDPJLYUKNYFZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine |
| Canonical SMILES | C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.4 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02544 |
|---|---|
| Drug Name | N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50128063 CHEMBL67133 ChemSpider: 393468 PDB: R79 PubChem:445992 PubChem:46504525 ZINC: ZINC000001546452
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 8.5 | IC50 | ChEMBL;BindingDB |
| P38604 | ERG7 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF13243 PF13249 | 7.2 | IC50 | ChEMBL;BindingDB |
| P33247 | shc | Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / BCRC 14685 / JCM 5260 / KCTC 1825 / NBRC 15652 / NCIMB 11725 / NRRL B-14509 / 104-IA) | Pathogen | PF13243 PF13249 | 6.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33247 | shc | Squalene--hopene cyclase | binder | targets |