derenofylline


SMILES O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1
InChIKey RBZNJGHIKXAKQE-HDJSIYSDSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 308.2

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 9.0 9.0 9.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.6 8.6 8.6 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 6.3 6.3 6.3 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.6 8.6 8.6 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pKi 8.77 9.13 9.4 ChEMBL
A1 AA1R Human Adenosine A pKd 8.26 8.26 8.26 ChEMBL
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database