Molecule Details
| InChIKey | CMYCCJYVZIMDFU-UHFFFAOYSA-N |
|---|---|
| Compound Name | (4-Bromophenyl)(2-fluoro-4-((6-(methyl-2-propen-1-ylamino)hexyl)oxy)phenyl)methanone |
| Canonical SMILES | C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02016 |
|---|---|
| Drug Name | R048-8071 |
| CAS Number | 161582-11-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50128065 ChEBI: 101064 CHEMBL304858 ChemSpider: 1873 PDB: R71 PubChem:1949 PubChem:46505901 ZINC: ZINC000002563947
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 8.2 | 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 | 7.2 | IC50 | ChEMBL;BindingDB |
| P38604 | ERG7 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF13243 PF13249 | 6.7 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P48449 | LSS | Lanosterol synthase | binder | targets |