APEC


SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=O)CC5=CC=C(C=C5)N)O)O
InChIKey YACZPSXUHHLMLM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 15
Molecular weight (Da) 674.3

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 Rat Adenosine A pKi 6.4 6.4 6.4 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 7.3 7.3 7.3 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 8.24 8.24 8.24 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database