Molecule Details
| InChIKey | JTLCTTWVUAIQHD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(17-chloro-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)-N,N-dimethylmethanamine |
| Canonical SMILES | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.8 | pIC50 | TTD_MultiTarget |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| P13945 | ADRB3 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |