cyclopentyladenosine


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1
InChIKey SQMWSBKSHWARHU-SDBHATRESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 335.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

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 6.5 7.95 9.4 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.5 4.6 4.7 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.0 7.2 7.4 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.02 6.02 6.02 Guide to Pharmacology
A2A AA2AR Mouse Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A1 AA1R Mouse Adenosine A pKi 9.66 9.66 9.66 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 9.49 9.49 9.49 ChEMBL
A3 AA3R Rat Adenosine A pKi 6.56 6.99 7.58 ChEMBL
A1 AA1R Bovine Adenosine A pKi 5.91 8.59 9.52 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.47 6.24 6.79 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.53 8.29 9.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.67 6.02 7.37 ChEMBL
A3 AA3R Human Adenosine A pKi 4.73 6.57 7.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.77 6.12 6.42 ChEMBL
A1 AA1R Human Adenosine A pKi 7.67 8.41 9.35 ChEMBL
A1 AA1R Human Adenosine A pKi 8.0 8.5 9.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.49 6.59 7.37 PDSP Ki database
A1 AA1R Chicken Adenosine A pKi 8.54 8.54 8.54 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.29 9.06 9.35 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 6.62 6.62 6.62 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.25 6.29 6.34 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pEC50 7.9 7.9 7.9 ChEMBL
A1 AA1R Rat Adenosine A pEC50 7.69 7.8 7.88 ChEMBL
A1 AA1R Rat Adenosine A pIC50 4.85 7.22 9.49 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.1 5.86 6.62 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.2 8.77 9.72 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.57 8.57 8.57 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.85 4.85 4.85 ChEMBL