CHEMBL605405
SMILES | Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1 |
InChIKey | XQDRWCFJBHLWPR-RAXLEYEMSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 302.2 |
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 | 9.68 | 9.68 | 9.68 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.32 | 9.32 | 9.32 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.81 | 6.98 | 7.16 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.06 | 7.06 | 7.06 | ChEMBL |