Molecule Details
| InChIKey | WEGLOYDTDILXDA-HNNXBMFYSA-N |
|---|---|
| Compound Name | BAY 293 Negative Control |
| Canonical SMILES | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 22 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (22)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.2 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |