CHEMBL428086


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O
InChIKey HEHWDTREEVPBPD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 480.1

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
A1 AA1R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A3 AA3R Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database