CHEMBL5182055


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 580.1

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
A1 AA1R Mouse Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.65 8.65 8.65 ChEMBL
A3 AA3R Human Adenosine A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database