(±)-adrenaline


SMILES CNCC(c1ccc(c(c1)O)O)O
InChIKey UCTWMZQNUQWSLP-UHFFFAOYSA-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

Ligand site mutations β1 β2

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pKi 5.2 5.7 6.2 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 5.8 6.0 6.2 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 6.0 6.0 6.0 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 3.9 4.3 4.7 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 5.3 5.3 5.3 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 5.3 5.3 5.3 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.03 5.03 5.03 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.92 5.92 5.92 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.29 8.29 8.29 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 5.58 5.58 5.58 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.5 5.5 5.5 ChEMBL