CHEMBL1257913
SMILES | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 |
InChIKey | OBNBHAGRBKUSPV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 476.2 |
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 | 8.07 | 8.07 | 8.07 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 9.21 | 9.21 | 9.21 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 9.24 | 9.24 | 9.24 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |