CHEMBL608530
SMILES | CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 |
InChIKey | SLVMESMUVMCQIY-AJWVYOOVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 386.1 |
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 |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.27 | 6.39 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.71 | 5.96 | 6.21 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.71 | 6.87 | 7.02 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.43 | 6.46 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.37 | 6.45 | 6.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.93 | 6.0 | 6.08 | ChEMBL |