CHEMBL1395661
SMILES | C=CCc1ccccc1OC[C@H](O)CNC(C)C |
InChIKey | PAZJSJFMUHDSTF-CQSZACIVSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 249.2 |
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 |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.74 | 7.74 | 7.74 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.12 | 7.88 | 8.63 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.3 | 5.3 | 5.3 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |