CHEMBL306377
SMILES | c1ccc2c(c1)CCCC2NC1=NCCCO1 |
InChIKey | LAMFPOWZDAOQTK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 230.1 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.66 | 5.69 | 5.71 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.59 | 7.59 | 7.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 7.61 | 7.61 | 7.61 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |