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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations A2A A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.96 5.33 5.69 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.27 5.27 5.27 ChEMBL
A3 AA3R Human Adenosine A pKi 5.75 8.78 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
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
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