CHEMBL494709
SMILES | O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1 |
InChIKey | RIZPYDSXCAUQAK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 442.3 |
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 | Rat | 5-Hydroxytryptamine | A | pKi | 9.01 | 9.01 | 9.01 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.01 | 9.01 | 9.01 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.73 | 6.73 | 6.73 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 6.51 | 6.51 | 6.51 | ChEMBL |