CHEMBL4163810
SMILES | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC |
InChIKey | NZORUWSOGKMFNY-VIFPVBQESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 303.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |