CHEMBL3752900
SMILES | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 |
InChIKey | XRJGWSMTLAFHBN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 274.1 |
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-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |