Molecule Details
| InChIKey | JYNZIOFUHBJABQ-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)coc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.65 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02339 |
|---|---|
| Drug Name | Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50128045 CHEMBL445353 ChemSpider: 394614 PDB: R19 PubChem:447560 PubChem:46506181 ZINC: ZINC000012501928
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 6.2 | 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 | 7.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33247 | shc | Squalene--hopene cyclase | binder | targets |