CHEMBL3817898
SMILES | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 |
InChIKey | SQGWMVXOYSHVTI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 309.2 |
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-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.67 | 6.69 | 6.7 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.59 | 5.67 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.59 | 7.64 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
D4 | DRD4 | Rat | Dopamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |