CHEMBL5174613


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O
InChIKey VXZWWKSQYWINGU-VGGQNZTHSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 594.3

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 Mouse Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A3 AA3R Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.84 5.96 6.08 ChEMBL