betaxolol
SMILES | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C |
InChIKey | NWIUTZDMDHAVTP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 307.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Ligand site mutations | β1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKd | 11.57 | 11.57 | 11.57 | Guide to Pharmacology |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKd | 8.59 | 8.59 | 8.59 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 5.15 | 5.15 | 5.15 | Guide to Pharmacology |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |