Molecule Details
| InChIKey | NQDGCGNKNJWZHP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Contilisant |
| Canonical SMILES | C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.2 | Ki | ChEMBL;BindingDB |
| P27338 | MAOB | Homo sapiens | Human | PF01593 | 7.1 | IC50 | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.8 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.3 | IC50 | ChEMBL;BindingDB |