CHEMBL100646


SMILES CO/C(O)=C1/C(C)=NC(C)=C(C(=O)OCc2ccccc2)C1C
InChIKey SIPQNIXMNBZWJF-BMRADRMJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 315.1

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 5.01 5.01 5.01 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.19 5.19 5.19 ChEMBL
A3 AA3R Human Adenosine A pKi 5.56 5.56 5.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database