CHEMBL3311284


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O
InChIKey KGGCZDIZKJMFPX-MXKWNSRKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 404.2

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
A3 AA3R Human Adenosine A pKi 8.82 8.82 8.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database