CHEMBL58241
SMILES | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 |
InChIKey | CGOIQOHYFAKMEL-DHUJRADRSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 16 |
Molecular weight (Da) | 640.3 |
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 | 8.92 | 8.92 | 8.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.28 | 4.28 | 4.28 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 4.05 | 4.05 | 4.05 | ChEMBL |