CHEMBL1962769
SMILES | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 |
InChIKey | YZLCDNYSBSWVBY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 403.2 |
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 | Human | Adrenoceptors | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.08 | 9.08 | 9.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAAR5 | TAAR5 | Mouse | A orphans | A | pIC50 | 4.54 | 4.54 | 4.54 | ChEMBL |