isoprenaline


SMILES CC(NCC(c1ccc(c(c1)O)O)O)C
InChIKey JWZZKOKVBUJMES-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 211.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β1 β2 β3

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.1 6.55 7.0 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 6.4 6.5 6.6 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 5.1 5.65 6.2 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 4.2 4.75 5.3 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 5.3 5.3 5.3 Guide to Pharmacology
β1 ADRB1 Mouse Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
β2 ADRB2 Bovine Adrenoceptors A pKd 6.48 6.48 6.48 ChEMBL
β2 ADRB2 Bovine Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 6.17 6.79 7.1 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 7.6 7.67 7.75 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 4.73 4.73 4.73 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.8 6.25 6.71 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.55 6.19 7.34 PDSP Ki database
β2 ADRB2 Guinea pig Adrenoceptors A pKi 6.49 6.73 6.97 PDSP Ki database
β1 H0W3H1 Guinea pig Adrenoceptors A pKi 6.33 6.33 6.33 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 6.13 6.73 7.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.17 6.89 8.61 ChEMBL
α2A ADA2A Pig Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 4.32 4.62 4.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 6.65 6.65 6.65 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.8 5.8 5.8 PDSP Ki database
α2A ADA2A Mouse Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.31 8.31 8.31 Drug Central
D3 DRD3 Human Dopamine A pKi 8.27 8.27 8.27 Drug Central
D4 DRD4 Human Dopamine A pKi 8.26 8.26 8.26 Drug Central
β3 ADRB3 Mouse Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
β2 ADRB2 Bovine Adrenoceptors A pKd 8.19 8.19 8.19 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
β2 ADRB2 Golden hamster Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
β3 ADRB3 Rat Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
D3 DRD3 Human Dopamine A pKi 5.33 5.33 5.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 8.6 8.6 8.6 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pEC50 8.2 8.2 8.2 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pEC50 7.4 7.4 7.4 Guide to Pharmacology
TAS2R42 T2R42 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R45 T2R45 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R60 T2R60 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R20 T2R20 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R40 T2R40 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R3 TA2R3 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R5 TA2R5 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R30 T2R30 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R50 T2R50 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R4 TA2R4 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R9 TA2R9 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R38 T2R38 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R10 T2R10 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R41 T2R41 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
β2 ADRB2 Rat Adrenoceptors A pIC50 10.0 10.0 10.0 ChEMBL
β2 ADRB2 Dog Adrenoceptors A pIC50 6.0 8.67 10.0 ChEMBL
β3 ADRB3 Rat Adrenoceptors A pEC50 7.06 7.47 7.89 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pIC50 6.22 7.25 8.28 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 7.24 7.56 8.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.0 7.82 9.01 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.0 8.8 10.08 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.48 6.48 6.48 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.0 8.16 10.26 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.61 6.61 6.61 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.05 8.05 8.05 Drug Central
β2 ADRB2 Human Adrenoceptors A pEC50 8.01 8.01 8.01 Drug Central
β3 ADRB3 Human Adrenoceptors A pEC50 8.07 8.07 8.07 Drug Central
TAS2R19 T2R19 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R30 T2R30 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R31 T2R31 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R38 T2R38 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R39 T2R39 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R40 T2R40 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R41 T2R41 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R43 T2R43 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R45 T2R45 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 8.12 8.12 8.12 Drug Central
β1 ADRB1 Rat Adrenoceptors A pIC50 8.21 8.21 8.21 Drug Central
β2 ADRB2 Dog Adrenoceptors A pIC50 8.22 8.22 8.22 Drug Central
TAS2R3 TA2R3 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R4 TA2R4 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R5 TA2R5 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R7 TA2R7 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R9 TA2R9 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R10 T2R10 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R13 T2R13 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R14 T2R14 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R16 T2R16 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R20 T2R20 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R42 T2R42 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R50 T2R50 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R60 T2R60 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
RXFP1 RXFP1 Human Relaxin family peptide A Potency 5.5 5.5 5.5 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 6.4 6.4 6.4 ChEMBL
TAS2R1 TA2R1 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R1 TA2R1 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R7 TA2R7 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R8 TA2R8 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R8 TA2R8 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
TAS2R13 T2R13 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R14 T2R14 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R16 T2R16 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R19 T2R19 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R31 T2R31 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R39 T2R39 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R43 T2R43 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R46 T2R46 Human Taste 2 T2 pEC50 8.31 8.31 8.31 ChEMBL
TAS2R46 T2R46 Human Taste 2 T2 pEC50 8.08 8.08 8.08 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 8.22 8.22 8.22 ChEMBL