Molecule Details
| InChIKey | YDWPQZUWZDRRSE-AATRIKPKSA-N |
|---|---|
| Canonical SMILES | C=CCN(C)C/C=C/COc1cc2c(cc1F)c(-c1ccc(Br)cc1)nn2C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02139 |
|---|---|
| Drug Name | (2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50128067 CHEMBL65730 ChemSpider: 393466 PDB: R04 PubChem:445990 PubChem:46509024 ZINC: ZINC000003581378
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 7.5 | 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 |