CHEMBL244161
SMILES | CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1 |
InChIKey | MOARTSKNGANIHC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 434.3 |
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 | Guinea pig | 5-Hydroxytryptamine | A | pKd | 7.7 | 7.7 | 7.7 | ChEMBL |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |