CHEMBL592752
SMILES | Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 |
InChIKey | IBUHDDLETPJVGP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 304.2 |
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 | 9.6 | 9.74 | 9.81 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 9.24 | 9.24 | 9.24 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.77 | 8.92 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.85 | 8.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.84 | 7.12 | 7.4 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |