piclidenoson


SMILES CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I
InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 510.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8X16
Ligand site mutations A2A A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 7.29 7.29 7.29 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.6 5.95 6.3 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.3 4.6 4.9 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.7 8.95 9.2 Guide to Pharmacology
A2A AA2AR Mouse Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A1 AA1R Mouse Adenosine A pKi 8.23 8.23 8.23 ChEMBL
A3 AA3R Mouse Adenosine A pKi 10.06 10.06 10.06 ChEMBL
A3 AA3R Rat Adenosine A pKi 7.52 8.85 8.96 ChEMBL
A1 AA1R Bovine Adenosine A pKi 7.48 7.7 7.92 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.25 7.25 7.25 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.27 7.27 7.27 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.96 5.33 5.69 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.27 5.27 5.27 ChEMBL
A3 AA3R Human Adenosine A pKi 7.96 8.86 10.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.21 6.25 7.5 ChEMBL
A1 AA1R Human Adenosine A pKi 5.79 7.29 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.96 6.23 7.5 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.44 9.16 9.6 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.64 9.57 10.84 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.1 7.1 7.1 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.5 7.5 7.5 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.8 4.8 4.8 ChEMBL