CHEMBL1935753


SMILES CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21
InChIKey JMHRTCFPAQIVHC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 283.1

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
A1 AA1R Human Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A3 AA3R Human Adenosine A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.4 7.4 7.4 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.3 6.3 6.3 ChEMBL