CHEMBL4518996


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)cc31)[C@H](O)[C@@H]2O
InChIKey HFVHGNITWVDKMU-YOSNZQCFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 404.2

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 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database