CHEMBL196817
SMILES | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 |
InChIKey | ZWJVFWQBNXKWES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 14 |
Molecular weight (Da) | 468.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 10.3 | 10.3 | 10.3 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.93 | 7.93 | 7.93 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |