CHEMBL507754


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O
InChIKey SIHIKPJYUGIIGL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 405.1

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
A2B AA2BR Human Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A3 AA3R Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
A1 AA1R Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database