Molecule Details
| InChIKey | VIPSEWNPWLYICF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-Ethyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea |
| Canonical SMILES | CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 9.8 | Ki | ChEMBL |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.2 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |