CHEMBL4089741


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey GUBKGLDQJZXPTI-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 429.1

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
A1 AA1R Human Adenosine A pKi 8.45 8.45 8.45 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.01 7.01 7.01 ChEMBL
A3 AA3R Human Adenosine A pKi 8.63 8.63 8.63 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 6.68 6.68 6.68 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.83 7.83 7.83 ChEMBL
A2B AA2BR Human Adenosine A pEC50 6.28 6.28 6.28 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.22 7.22 7.22 ChEMBL