acebutolol
SMILES | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O |
InChIKey | GOEMGAFJFRBGGG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 336.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |