CHEMBL563425


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O
InChIKey TYIPNKRSYTVPNP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 555.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.54 8.54 8.54 ChEMBL
A3 AA3R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database