CHEMBL1258452
SMILES | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 |
InChIKey | DZZIAERGLDKTBT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 320.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 9.13 | 9.13 | 9.13 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
H3 | HRH3 | Guinea pig | Histamine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |