labetalol
SMILES | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O |
InChIKey | SGUAFYQXFOLMHL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 8 |
Molecular weight (Da) | 328.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.13 | 8.13 | 8.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |