CHEMBL339980
SMILES | Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C |
InChIKey | WMCLJWPYJWRZJT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 339.2 |
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-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
H1 | HRH1 | Rat | Histamine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 4.42 | 4.42 | 4.42 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |