CHEMBL101162


SMILES CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1CC(C)CCC=C(C)C
InChIKey DUQKWXIFKLCNNB-XUTLUUPISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 363.2

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 Rat Adenosine A pKi 5.04 5.04 5.04 ChEMBL
A3 AA3R Human Adenosine A pKi 5.1 5.1 5.1 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.64 4.64 4.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database