Molecule Details
| InChIKey | HOIIHACBCFLJET-SFTDATJTSA-O |
|---|---|
| Compound Name | 1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4-diaza-12-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one |
| Canonical SMILES | CN1CCN2c3c(cccc31)[C@@H]1C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.7 | IC50 | BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.5 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.3 | Ki | BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.2 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | BindingDB |