AS100


SMILES CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl
InChIKey OESRCCUPNGDTIR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 533.1

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 Human Adenosine A pKi 6.5 6.5 6.5 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.2 8.2 8.2 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.22 7.22 7.22 ChEMBL