Molecule Details
| InChIKey | XMDRTFUFPOAGDR-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-(1-azepanyl)-N,2-dicyclopropyl-5-methyl-4-pyrimidinamine |
| Canonical SMILES | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.1 | Kd | ChEMBL |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 6.2 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 6.2 | IC50 | ChEMBL |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 6.2 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.2 | IC50 | ChEMBL |