Molecule Details
| InChIKey | KVHHUZUNLIGTBY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(2-Methoxyphenyl)-9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane |
| Canonical SMILES | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.5 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.0 | Ki | ChEMBL;BindingDB |