(-)-adrenaline


SMILES CNC[C@@H](c1ccc(c(c1)O)O)O
InChIKey UCTWMZQNUQWSLP-VIFPVBQESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 183.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 4LDO 7BTS 8THL
Ligand site mutations α1A α1B α2A α2B β1 β2

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 5.1 5.8 6.5 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 3.9 5.2 6.5 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 5.3 6.25 7.2 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 3.7 5.55 7.4 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 3.6 4.4 5.2 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 4.9 5.35 5.8 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 5.2 5.6 6.0 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 6.0 6.1 6.2 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 3.9 4.3 4.7 Guide to Pharmacology
α1D ADA1D Rat Adrenoceptors A pKi 6.3 6.3 6.3 Guide to Pharmacology
β2 ADRB2 Dog Adrenoceptors A pKi 5.96 6.07 6.18 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 5.68 5.85 5.96 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.46 5.81 6.13 PDSP Ki database
D1 DRD1 Human Dopamine A pKd 4.26 4.26 4.26 ChEMBL
α2A ADA2A Pig Adrenoceptors A pKi 6.19 6.19 6.19 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 5.2 5.89 6.59 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.19 6.19 6.19 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 6.26 6.26 6.26 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α1A Q9TSW7 Pig Adrenoceptors A pKi 5.4 5.4 5.4 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 5.59 5.59 5.59 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.4 5.4 5.4 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.77 5.77 5.77 PDSP Ki database
α2A ADA2A Mouse Adrenoceptors A pKi 6.41 6.41 6.41 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.27 8.27 8.27 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 8.21 8.21 8.21 Drug Central
D2 DRD2 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
α1D ADA1D Rat Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
μ OPRM Rat Opioid A pKi 8.27 8.27 8.27 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
β2 ADRB2 Rat Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
β2 ADRB2 Dog Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 6.44 6.58 6.71 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 6.2 6.2 6.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.56 6.68 6.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.83 5.83 5.83 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
D1 DRD1 Human Dopamine A pKd 8.37 8.37 8.37 Drug Central
D2 DRD2 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 5.33 5.33 5.33 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 6.55 6.55 6.55 PDSP Ki database
α1A ADA1A Rat Adrenoceptors A pKi 6.59 6.59 6.59 ChEMBL
β2 ADRB2 Rat Adrenoceptors A pKi 6.14 6.14 6.14 ChEMBL
5-HT2C 5HT2C Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β1 B0FL73 Guinea pig Adrenoceptors A pKi 5.52 5.52 5.52 ChEMBL
β1 B0FL73 Guinea pig Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pEC50 5.6 7.35 9.1 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pEC50 5.4 7.4 9.4 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pEC50 6.7 7.2 7.7 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pEC50 6.766666666666667 6.77 6.77 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pIC50 6.5 6.5 6.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pEC50 6.9 6.9 6.9 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pIC50 7.6 7.6 7.6 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pEC50 7.6 7.6 7.6 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pIC50 6.7 6.7 6.7 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pEC50 7.6 7.6 7.6 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pEC50 7.9 7.9 7.9 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pEC50 6.5 6.5 6.5 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pEC50 6.54 6.54 6.54 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 6.4 6.4 6.4 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.21 8.21 8.21 Drug Central
β2 ADRB2 Human Adrenoceptors A pEC50 5.86 5.86 5.86 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.55 6.55 6.55 ChEMBL
α1B ADA1B Human Adrenoceptors A pEC50 7.12 7.12 7.12 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.35 6.35 6.35 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.13 6.13 6.13 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.52 7.52 7.52 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.06 6.06 6.06 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.61 5.61 5.61 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.31 7.41 7.51 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.7 4.7 4.7 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.75 5.75 5.75 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.2 6.2 6.2 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.55 4.55 4.55 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 6.36 7.09 7.82 ChEMBL
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 6.36 6.92 7.82 ChEMBL