CHEMBL3414944


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey OZWIQLJRUYENLH-BHETVNITSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 403.2

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 7.81 7.81 7.81 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKi 8.91 8.91 8.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.87 5.87 5.87 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.21 7.21 7.21 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.6 7.6 7.6 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.06 8.06 8.06 ChEMBL