Molecule Details
| InChIKey | XMHPSFHTLVKATH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ethyl 3-[[4-(dimethylamino)-1,3,5-triazaspiro[5.5]undeca-1,4-dien-2-yl]amino]benzoate |
| Canonical SMILES | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |