CHEMBL29141
SMILES | CNCC(O)c1ccc(O)c2nc(O)sc12 |
InChIKey | AWWPNKWNJLNEKN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 240.1 |
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.92 | 6.92 | 6.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 7.29 | 7.29 | 7.29 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |