AS70


SMILES CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1
InChIKey BVHLYIIHYJFKSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 534.3

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 6.6 6.6 6.6 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.1 8.1 8.1 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.82 7.87 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.58 6.59 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.16 7.18 7.19 ChEMBL