CHEMBL381214


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O
InChIKey VCPSPVGCIBZGCA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 449.1

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
A2B AA2BR Human Adenosine A pKi 8.16 8.16 8.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database