alprenolol


SMILES C=CCc1ccccc1OCC(CNC(C)C)O
InChIKey PAZJSJFMUHDSTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 249.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Sankey plot

Compound is not listed as a drug.


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 9.0 9.0 9.0 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.0 7.08 7.15 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.55 8.55 8.55 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.75 7.69 8.37 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.93 6.93 6.93 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.77 8.11 8.92 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKd 8.84 9.12 9.53 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.92 9.04 9.3 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.29 5.29 5.29 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.03 5.33 5.63 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 9.24 9.27 9.3 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 8.38 8.67 8.96 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.05 5.16 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 7.46 7.46 7.46 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
β3 ADRB3 Human Adrenoceptors A pKd 8.16 8.16 8.16 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
β1 ADRB1 Human Adrenoceptors A pKd 8.01 8.01 8.01 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 8.02 8.02 8.02 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.67 7.67 7.67 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.24 8.24 8.24 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKd 6.86 6.99 7.12 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.35 5.35 5.35 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 7.86 8.09 8.31 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.26 8.56 8.94 ChEMBL
β2 ADRB2 Bovine Adrenoceptors A pIC50 8.07 8.07 8.07 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.2 6.2 6.2 ChEMBL
β2 ADRB2 Bovine Adrenoceptors A pIC50 8.53 8.53 8.53 ChEMBL