CHEMBL222138
SMILES | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 |
InChIKey | JACPZVPJACONPS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 311.1 |
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 | 5.81 | 5.81 | 5.81 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |