1R-11


SMILES CCCCC[C@H](c1c(/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)nc(n1C)C)O
InChIKey PLBGFBROZZUTKG-PHCFSIKCSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 382.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

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
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 8.66 8.66 8.66 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 8.52 8.52 8.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.45 4.68 4.9 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.28 7.53 8.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.4 7.4 7.4 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
β2 ADRB2 Human Adrenoceptors A pIC50 7.99 7.99 7.99 Drug Central
β3 ADRB3 Human Adrenoceptors A pEC50 8.13 8.13 8.13 Drug Central