8-PHENYL THEOPHYLLINE


SMILES Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O
InChIKey PJFMAVHETLRJHJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 256.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Guinea pig Adenosine A pKi 6.26 6.33 6.4 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A1 AA1R Bovine Adenosine A pKi 6.7 7.61 8.51 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.01 6.05 6.08 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.12 7.03 7.89 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.94 7.01 7.07 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 8.23 8.23 8.23 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 5.96 5.96 5.96 ChEMBL
A1 AA1R Bovine Adenosine A pIC50 8.52 8.52 8.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.15 7.15 7.15 ChEMBL
A1 AA1R Rat Adenosine A pIC50 6.1 7.61 8.52 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.38 6.53 6.68 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.6 6.6 6.6 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.9 5.9 5.9 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.34 6.34 6.34 ChEMBL
A1 AA1R Human Adenosine A pIC50 5.87 6.08 6.3 ChEMBL