CHEMBL137486
SMILES | COc1cccc2c1CC1(CCCCN1CCCCNS(=O)(=O)c1ccc(C)cc1)CO2 |
InChIKey | MQARXTPEJIJVAR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 458.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Bovine | Dopamine | A | pIC50 | 4.42 | 4.42 | 4.42 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.29 | 4.29 | 4.29 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.17 | 7.17 | 7.17 | ChEMBL |