CGS 21680


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 499.2

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
A2A AA2AR Human Adenosine A pKi 7.34 7.4 7.57 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 6.06 7.17 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 5.0 5.64 6.47 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 6.23 6.23 6.23 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 7.82 7.82 7.82 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database