CHEMBL3754496
SMILES | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 |
InChIKey | ALTKABGEMCJWJH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 258.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.78 | 7.78 | 7.78 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |