CHEMBL1258597
SMILES | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 |
InChIKey | KKPXMOIIKXJFCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 500.2 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |