CHEMBL418854
SMILES | COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1 |
InChIKey | QHLRKDSRGUZHSH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 402.2 |
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 |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |