CHEMBL1094998


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey CAPBGGGWABFJCR-ACIRYHQQSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 645.3

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
A3 AA3R Human Adenosine A pKi 8.25 8.25 8.25 ChEMBL
A1 AA1R Human Adenosine A pKi 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database