AS99


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C
InChIKey FCMUQGWJTIVYIU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 493.2

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
A1 AA1R Human Adenosine A pKi 6.1 6.1 6.1 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.4 8.4 8.4 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.4 7.4 7.4 ChEMBL