8-cyclopentyltheophylline


SMILES Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1
InChIKey SCVHFRLUNIOSGI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 248.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 7.5 7.75 8.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.2 8.2 8.2 PDSP Ki database
A1 AA1R Guinea pig Adenosine A pKi 7.58 7.58 7.58 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 8.85 8.85 8.85 PDSP Ki database
A1 I3LEN5 Pig Adenosine A pKi 8.35 8.35 8.35 PDSP Ki database
A1 W5NSY2 Sheep Adenosine A pKi 8.54 8.54 8.54 PDSP Ki database
A1 AA1R Human Adenosine A pKi 8.19 8.28 8.37 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.62 8.22 9.34 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Bovine Adenosine A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.55 4.55 4.55 ChEMBL