CHEMBL26018
| SMILES | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 |
| InChIKey | GCJDLTIMRVUXDP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 446.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 5.0 | 5.13 | 5.3 | ChEMBL |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pIC50 | 5.0 | 5.47 | 5.7 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 5.16 | 5.4 | 5.52 | ChEMBL |
| D1 | DRD1 | Bovine | Dopamine | A | pIC50 | 4.52 | 4.64 | 4.7 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 6.7 | 6.97 | 7.22 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.7 | 4.95 | 5.1 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.7 | 8.52 | 9.15 | ChEMBL |