CHEMBL2413115


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O
InChIKey ZRVXKIGWMZOKNP-NLJXWPIHSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 17
Molecular weight (Da) 626.3

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 7.55 7.55 7.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A1 AA1R Human Adenosine A pKi 5.19 5.19 5.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database