CHEMBL44403
SMILES | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O |
InChIKey | UZPNDQMXOWZSMG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 431.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 8.7 | 8.7 | 8.7 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 7.58 | 7.58 | 7.58 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.91 | 8.91 | 8.91 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.35 | 9.41 | 9.46 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.74 | 9.74 | 9.74 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |