CHEMBL3984541
SMILES | COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCO)cc3)CC2)cc1 |
InChIKey | BTTMPMPJNCTVFY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 14 |
Molecular weight (Da) | 531.3 |
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-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.84 | 7.84 | 7.84 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |