CHEMBL4300399
SMILES | COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1 |
InChIKey | JJACJGJMQKKPIZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 398.3 |
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 | 7.05 | 7.05 | 7.05 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.63 | 5.63 | 5.63 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.11 | 7.11 | 7.11 | ChEMBL |