CHEMBL4292514


SMILES CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCCC)c1=O
InChIKey HJBVYMPSVYMEAY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 17
Molecular weight (Da) 635.4

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 5.9 5.9 5.9 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
A3 AA3R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.93 6.93 6.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database