CHEMBL162436
SMILES | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 |
InChIKey | WGLYZLZIIJTKAG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 435.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 8.57 | 8.57 | 8.57 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.69 | 6.69 | 6.69 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.38 | 8.38 | 8.38 | ChEMBL |