CHEMBL1091106
SMILES | CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 |
InChIKey | GBQTUUZWSMRGHG-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 366.2 |
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-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.86 | 7.86 | 7.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.89 | 6.89 | 6.89 | ChEMBL |