CHEMBL3986927
SMILES | O=C1Cc2cc(C(=O)CCCN3CCc4ccccc4C3)ccc2N1 |
InChIKey | GJUWVTJJMMQPAO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 334.2 |
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 |
D4 | DRD4 | Rat | Dopamine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |