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
Endogenous/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
CB1 CNR1 Human Cannabinoid A pKi 8.94 8.94 8.94 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 8.5 8.5 8.5 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 9.41 9.41 9.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pEC50 8.24 8.24 8.24 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 8.26 8.26 8.26 ChEMBL