CHEMBL420683
SMILES | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 |
InChIKey | FVHLKYRSFYIRKU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 253.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 7.9 | 7.9 | 7.9 | ChEMBL |