CHEMBL43711
SMILES | CNCC(O)c1ccc(O)c(O)c1F |
InChIKey | HGZKLMFEVVYGMO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 201.1 |
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 |
β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.78 | 4.78 | 4.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 5.48 | 5.48 | 5.48 | ChEMBL |