CHEMBL3827331


SMILES CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O
InChIKey PCGDFXCJWKWRNP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 538.4

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 Rat Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.25 6.25 6.25 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A3 AA3R Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKi 5.81 5.81 5.81 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.47 6.47 6.47 ChEMBL