CHEMBL1185017
SMILES | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 |
InChIKey | QQNWVORTUJAROO-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 369.2 |
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 | 8.39 | 8.39 | 8.39 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.04 | 7.04 | 7.04 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.84 | 7.84 | 7.84 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |