Molecule Details
| InChIKey | AJBBEYXFRYFVNM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Mrs-1754 |
| Canonical SMILES | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |