Chembl1090688

Chemical Properties

SMILES Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 18
Molecular weight 823.3

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey PUUSAKGGLAKPAJ-HXBCBVSGSA-N

Database Connections

External Links


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.83 5.87 5.9 ChEMBL