CHEMBL124668
SMILES | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |
InChIKey | BOHFHHWJKIJTBC-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 418.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.23 | 6.23 | 6.23 | ChEMBL |