CHEMBL4163428
SMILES | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 |
InChIKey | UETLZTFBKJSNHG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 351.2 |
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-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |