CHEMBL328895


SMILES CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCC)C1C#Cc1ccccc1
InChIKey ZRZNQQKUQJSWCU-XTCLZLMSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 431.2

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 5.29 5.29 5.29 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.5 4.5 4.5 ChEMBL
A3 AA3R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database