Molecule Details
| InChIKey | XRJGWSMTLAFHBN-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine |
| Canonical SMILES | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.4 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.0 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.1 | Ki | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |