CHEMBL442290
SMILES | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1 |
InChIKey | ZBUMCITULAAXBQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 500.2 |
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 |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.61 | 8.61 | 8.61 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.18 | 7.18 | 7.18 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.61 | 8.61 | 8.61 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |