CHEMBL22318
SMILES | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O |
InChIKey | BOWQSHCMIGFCJK-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 17 |
Molecular weight (Da) | 593.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.2 | 8.2 | 8.2 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.24 | 6.24 | 6.24 | ChEMBL |