CHEMBL56869
SMILES | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 |
InChIKey | ZWLNTIYBKQAWAA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 433.1 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |