CHEMBL103404


SMILES CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1C
InChIKey DTTGMWBHWRMEES-QBFSEMIESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 253.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 4.34 4.58 5.05 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.49 4.71 5.16 ChEMBL
A3 AA3R Human Adenosine A pKi 4.49 4.5 4.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database