CHEMBL329160
SMILES | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 |
InChIKey | MNIPVWNHCWNYRB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 397.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 7.7 | 7.7 | 7.7 | ChEMBL |
α1A | ADA1A | Rabbit | Adrenoceptors | A | pKd | 8.8 | 8.8 | 8.8 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |