CHEMBL127422
SMILES | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |
InChIKey | ZMALNKNZJJJCCV-SANMLTNESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 450.2 |
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 | 6.89 | 6.89 | 6.89 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |