nebivolol
SMILES | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O |
InChIKey | KOHIRBRYDXPAMZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 405.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.9 | 7.95 | 8.0 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.66 | 6.33 | 7.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |