CHEMBL4215889
SMILES | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 |
InChIKey | QBMBZYSVGFDWTF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 414.2 |
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 | Rat | Adrenoceptors | A | pKd | 6.22 | 6.22 | 6.22 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 6.83 | 6.83 | 6.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |