CHEMBL158627
SMILES | CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2 |
InChIKey | WUACSCWYLJHDBV-HNNHSTSXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 486.2 |
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 |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |