CHEMBL4285218


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCC)c1=O
InChIKey NKNOFMSKYVRLEL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 607.4

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 6.47 6.47 6.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A3 AA3R Human Adenosine A pKi 6.34 6.34 6.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database