(R)-ZINC-3573
SMILES | CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C |
InChIKey | XKBSPAZCFAIBJL-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 307.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |