CHEMBL330286


SMILES CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey XMCVJFCDPDUAPT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 446.2

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
A2B AA2BR Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.49 9.16 9.49 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
A1 AA1R Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.39 8.39 8.39 ChEMBL