Rec 15/3079


SMILES COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1
InChIKey HVMKWKIPLGPYAR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 466.3

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
A3 AA3R Rat Adenosine A pKi 5.3 5.3 5.3 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.02 5.95 8.41 ChEMBL
A1 AA1R Human Adenosine A pKi 8.47 8.48 8.48 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.42 5.18 5.94 ChEMBL
A3 AA3R Human Adenosine A pKi 4.42 5.14 5.94 ChEMBL
A1 AA1R Bovine Adenosine A pKi 5.34 7.84 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database