CHEMBL4170850


SMILES Cc1cccc(-c2nc3c(NC4CCCC4)ncnc3n2C)c1
InChIKey VDEBTXCDNXRPRG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 307.2

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
A2B AA2BR Human Adenosine A pKi 5.22 5.22 5.22 ChEMBL
A3 AA3R Human Adenosine A pKi 6.29 6.29 6.29 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A1 AA1R Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.37 7.37 7.37 ChEMBL