Molecule Details
| InChIKey | NNDGBQCSFXUKBN-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9908897, Example 25 |
| Canonical SMILES | N#Cc1cc(Oc2ccccc2)cc(N2CCC3(CC2)CNCCO3)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.35 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 8.7 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.4 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.1 | IC50 | BindingDB |