CHEMBL6168441


SMILES CCCCC#Cc1ccc(-c2nc3c(N)nc(C#CCCCC)nc3n2[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)cc1
InChIKey VXRXHDKWIIPFTF-ONVPUPLMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 483.3

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 8.34 8.34 8.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database