Molecule Details
| InChIKey | KZVXSSLUUGFVFR-UHFFFAOYSA-N |
|---|---|
| Compound Name | D4R agonist-1 |
| Canonical SMILES | c1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 7.1 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL |