(S)-PIA


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C
InChIKey RIRGCFBBHQEQQH-KFAHYOAQSA-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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Guinea pig Adenosine A pKi 6.89 6.89 6.89 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.52 5.52 5.52 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.7 7.32 7.96 ChEMBL
A3 AA3R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A1 AA1R Human Adenosine A pKi 4.6 5.3 6.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.0 5.05 5.1 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.2 4.7 5.2 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.3 6.85 7.4 Guide to Pharmacology
A1 AA1R Bovine Adenosine A pKi 7.92 7.98 8.1 ChEMBL
A3 AA3R Rat Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 6.98 6.98 6.98 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.68 6.68 6.68 ChEMBL