CHEMBL332010
SMILES | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 |
InChIKey | UPWFWUGEOVNJIM-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 443.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.82 | 6.82 | 6.82 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |