Chembl304438
Chemical Properties
| SMILES | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight | 381.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | ZVSMANBKDHUTOV-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |