Molecule Details
| InChIKey | MSQRTETUBFIHMP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(17-fluoro-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(F)cc3N2O1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.75 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.3 | pIC50 | TTD_MultiTarget |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |