CHEMBL4300899
SMILES | COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 |
InChIKey | RRGONONIXNMNQE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 354.2 |
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 | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.01 | 7.01 | 7.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.98 | 5.98 | 5.98 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.14 | 8.14 | 8.14 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |