CHEMBL36734


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC(=O)CCC4CCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey VNYJXPNVZRWZAF-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 447.2

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
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.97 4.97 4.97 ChEMBL
A1 AA1R Human Adenosine A pKi 5.26 5.26 5.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database