U46619


SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O
InChIKey LQANGKSBLPMBTJ-BRSNVKEHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 350.2

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
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.92 5.92 5.92 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.52 4.52 4.52 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.96 8.96 8.96 Guide to Pharmacology
A3 AA3R Human Adenosine A pKd 9.0 9.0 9.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.96 8.96 8.96 ChEMBL
A1 AA1R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.91 5.91 5.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.0 4.0 4.0 ChEMBL