Molecule Details
| InChIKey | BTSCZNWXJQSJIE-QFBILLFUSA-N |
|---|---|
| Compound Name | N,N-dimethyl-1-[(4S,6R)-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine |
| Canonical SMILES | CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.83 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.9 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.8 | IC50 | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.4 | IC50 | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | IC50 | BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.2 | IC50 | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.0 | IC50 | BindingDB |