CHEMBL1956199
SMILES | COc1ccccc1OC(C)C1=NCCN1 |
InChIKey | SQPFWLZXWYXMCI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 220.1 |
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 | 6.06 | 6.06 | 6.06 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 4.0 | 4.0 | 4.0 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.01 | 5.01 | 5.01 | ChEMBL |