CHEMBL36622
SMILES | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |
InChIKey | GYSZUJHYXCZAKI-CQSZACIVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 345.2 |
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 |
α2A | ADA2A | Rat | Adrenoceptors | A | pKd | 6.34 | 6.34 | 6.34 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 7.65 | 7.65 | 7.65 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 7.64 | 7.64 | 7.64 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.7 | 7.75 | 7.79 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.98 | 7.98 | 7.98 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.95 | 7.95 | 7.95 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.75 | 4.88 | 5.0 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 6.0 | 7.5 | ChEMBL |