(±)-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

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
α1B ADA1B Human Adrenoceptors A pKi 5.03 5.03 5.03 PDSP Ki database
β2 ADRB2 Human 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
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
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 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