S-PIA


SMILES CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
InChIKey RIRGCFBBHQEQQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 385.2

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 5.0 5.85 7.35 PDSP Ki database
A1 AA1R Chicken Adenosine A pKi 7.42 7.51 7.6 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.93 8.93 8.93 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.11 5.11 5.11 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database