CHEMBL2113396


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O
InChIKey NSHHNLNMUXKWLG-MPXOCVNLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 307.1

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 Rat Adenosine A pKi 6.15 6.15 6.15 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.24 6.24 6.24 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 5.82 5.82 5.82 ChEMBL