Molecule Details
| InChIKey | JAZMZJDLZUDIDG-NSCUHMNNSA-N |
|---|---|
| Compound Name | (4-Bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone |
| Canonical SMILES | CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 |
| 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 | DB08458 |
|---|---|
| Drug Name | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50128062 CHEMBL62855 ChemSpider: 393463 PDB: R88 PubChem:445987 PubChem:99444929 ZINC: ZINC000003581390
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 7.7 | 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 | 7.7 | 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 |
|---|---|---|---|---|
| P33247 | shc | Squalene--hopene cyclase | binder | targets |