CHEMBL437842


SMILES CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey DCQKFEHUCAMISH-XKLVTHTNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 375.2

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 8.64 8.64 8.64 ChEMBL
A1 AA1R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.0 4.0 4.0 ChEMBL