CHEMBL1188509
SMILES | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC |
InChIKey | KSCDHELJWUZESV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 411.2 |
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 |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 6.32 | 6.32 | 6.32 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 4.27 | 4.27 | 4.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |