CHEMBL1259190
| SMILES | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 |
| InChIKey | SHVCHMGRIYXVAY-NRFANRHFSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 409.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |