CHEMBL497749
SMILES | COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |
InChIKey | YRVKJIDCHIEELY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 439.2 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.07 | 7.07 | 7.07 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.34 | 8.34 | 8.34 | ChEMBL |