CHEMBL100071


SMILES CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(\O)OCC)C1C
InChIKey FPXKPEYPNBANNM-OBGWFSINSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 329.2

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
A2A AA2AR Rat Adenosine A pKi 4.45 4.47 4.55 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.59 4.72 5.13 ChEMBL
A3 AA3R Human Adenosine A pKi 5.14 5.19 5.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database