7-CHLOROETHYLTHEOPHYLLINE


SMILES Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O
InChIKey QCIARNIKNKKHFH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 242.1

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 5.35 5.35 5.35 ChEMBL
A2B AA2BR Rat Adenosine A pKi 5.27 5.27 5.27 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.37 5.37 5.37 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.82 4.96 5.1 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.86 5.86 5.86 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.09 5.09 5.09 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database