CHEMBL606547
SMILES | CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12 |
InChIKey | JEYKBVBGFCMXAB-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 403.1 |
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-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.53 | 7.53 | 7.53 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |