I-APE


SMILES C1=CC(=C(C=C1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)I)N
InChIKey AFFIAFORFZHTLX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 527.1

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
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database