Molecule Details
| InChIKey | YJWWBNSDIIFYRN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-[3-(4-Benzhydrylpiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione |
| Canonical SMILES | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.1 | pIC50 | TTD_MultiTarget |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL;BindingDB |