AS96


SMILES C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C
InChIKey ZGPHNPBSZODLNU-GFMRDNFCSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 530.2

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 8.0 8.0 8.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.09 7.09 7.09 ChEMBL