LEVISOPRENALINE


SMILES CC(C)NC[C@H](O)c1ccc(O)c(O)c1
InChIKey JWZZKOKVBUJMES-NSHDSACASA-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 No

Database connections

Structure pdb 2Y03 7JJO 7DHR 6H7J 7S0G 7S0F 7XJH
Ligand site mutations β1 β2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Golden hamster Adrenoceptors A pKi 6.87 6.87 6.87 ChEMBL
β1 ADRB1 Mouse Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.34 7.34 7.34 ChEMBL
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Golden hamster Adrenoceptors A pEC50 7.7 7.7 7.7 ChEMBL
β3 ADRB3 Rat Adrenoceptors A pEC50 4.2 4.2 4.2 ChEMBL
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 5.66 7.16 8.66 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 5.77 7.14 8.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.45 4.68 4.9 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.4 7.4 7.4 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.28 7.53 8.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.34 7.65 8.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 10.3 10.3 10.3 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.5 6.47 7.4 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.09 8.09 8.09 Drug Central
β3 ADRB3 Human Adrenoceptors A pEC50 8.13 8.13 8.13 Drug Central
β2 ADRB2 Human Adrenoceptors A pIC50 7.99 7.99 7.99 Drug Central