Molecule Details
| InChIKey | UEKVYQRCICRDNH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Ethyl-6-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one |
| Canonical SMILES | CCC1(c2ccc(CSc3ccc(F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.4 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P55263 | ADK | Homo sapiens | Human | PF00294 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 6.6 | IC50 | ChEMBL |
| Q9WKE8 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 6.6 | IC50 | BindingDB |