CHEMBL3735756
SMILES | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC |
InChIKey | SGVJKODGLNRNLW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 12 |
Molecular weight (Da) | 447.2 |
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-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKd | 6.26 | 6.26 | 6.26 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |