CHEMBL2220978
SMILES | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 |
InChIKey | ZFLJBXISNFUYBH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 340.2 |
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 | 10.6 | 10.6 | 10.6 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 9.57 | 9.57 | 9.57 | ChEMBL |