rolofylline


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3
InChIKey PJBFVWGQFLYWCB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 356.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 8.1 8.62 9.14 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.2 6.58 6.97 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.53 6.53 6.53 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.36 5.36 5.36 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 7.9 8.81 9.72 Guide to Pharmacology
A2A AA2AR Guinea pig Adenosine A pKi 6.64 6.64 6.64 ChEMBL
A1 AA1R Mouse Adenosine A pKi 9.84 9.84 9.84 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 8.89 8.92 8.96 ChEMBL
A1 AA1R Bovine Adenosine A pKi 9.72 9.72 9.72 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.42 6.59 6.77 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.9 9.19 9.72 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.53 6.55 6.57 ChEMBL
A3 AA3R Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.97 6.97 6.97 ChEMBL
A2A AA2AR Human Adenosine A pKd 6.88 7.17 7.46 ChEMBL
A1 AA1R Human Adenosine A pKi 8.89 9.17 9.53 ChEMBL
A1 AA1R Human Adenosine A pKd 7.94 7.94 7.94 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.29 6.36 6.42 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database