(R)-PIA


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C
InChIKey RIRGCFBBHQEQQH-SSFGXONLSA-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

Ligand site mutations A2A

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.4 7.55 8.7 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.0 6.1 6.2 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 3.8 4.65 5.5 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.1 7.6 8.1 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.92 8.92 8.92 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 4.72 4.72 4.72 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.66 6.66 6.66 Guide to Pharmacology
A2A AA2AR Guinea pig Adenosine A pKi 8.48 8.48 8.48 ChEMBL
A3 AA3R Rat Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A1 AA1R Bovine Adenosine A pKi 7.7 8.82 9.6 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.85 6.89 6.93 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.0 7.98 8.92 PDSP Ki database
A1 AA1R Guinea pig Adenosine A pKi 5.71 5.71 5.71 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 7.74 7.74 7.74 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 6.7 8.63 9.22 ChEMBL
A1 AA1R Chicken Adenosine A pKi 8.77 8.93 9.14 PDSP Ki database
A3 AA3R Human Adenosine A pKi 7.8 7.97 8.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.05 6.1 6.12 ChEMBL
A1 AA1R Human Adenosine A pKi 6.31 7.9 8.7 ChEMBL
A1 AA1R Human Adenosine A pKi 9.0 9.0 9.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.59 6.65 7.79 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.07 6.07 6.07 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 6.66 6.66 6.66 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 6.6 6.7 6.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.4 8.11 8.62 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.78 5.78 5.78 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.57 7.57 7.57 ChEMBL
A1 AA1R Human Adenosine A pIC50 6.08 6.08 6.08 ChEMBL
A1 AA1R Human Adenosine A pEC50 5.92 5.92 5.92 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.95 4.95 4.95 ChEMBL