CHEMBL337862
SMILES | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 |
InChIKey | RJDGUOVDCSODNG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 251.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.83 | 6.83 | 6.83 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.2 | 7.2 | 7.2 | ChEMBL |