CHEMBL3977072
SMILES | O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCN2CCOCC2)cc1 |
InChIKey | NKJBABKLZJYEME-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 14 |
Molecular weight (Da) | 570.4 |
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-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |