CHEMBL3612945


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey XVUQJMZGDBLFHF-LPWMEBHJSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 541.1

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
A3 AA3R Human Adenosine A pKi 8.03 8.03 8.03 ChEMBL
A1 AA1R Human Adenosine A pKi 5.87 5.87 5.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database