PCA 4248


SMILES COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C
InChIKey DHCNAWNKZMNTIS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 361.1

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
A2B AA2BR Human Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A1 AA1R Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database