CHEMBL493272
SMILES | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 |
InChIKey | MQSPJCMZCOHHPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 280.1 |
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 | 5.97 | 5.97 | 5.97 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |