CHEMBL114166
SMILES | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 |
InChIKey | MBYSTKNEMJZSIK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 279.1 |
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 |
α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.37 | 7.37 | 7.37 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.49 | 7.5 | 7.52 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.31 | 7.31 | 7.31 | PDSP Ki database |
α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |