Chembl1178932
Chemical Properties
| SMILES | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 9 |
| Molecular weight | 414.3 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | PEJFBWCDCTVGLS-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 | 5.0 | 5.19 | 5.52 | ChEMBL |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 5.1 | 5.26 | 5.52 | ChEMBL |
| D1 | DRD1 | Bovine | Dopamine | A | pIC50 | 4.3 | 4.41 | 4.52 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 7.0 | 7.57 | 8.0 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.52 | 4.74 | 5.0 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.1 | 8.6 | 9.0 | ChEMBL |