Molecule Details
| InChIKey | JADDQZYHOWSFJD-FLNNQWSLSA-N |
|---|---|
| Compound Name | Neca |
| Canonical SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.39 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P0DMS9 | TMIGD3 | Homo sapiens | Human | — | 7.8 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P14625 | HSP90B1 | Homo sapiens | Human | PF13589 PF00183 | 7.0 | Ki | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |