CHEMBL5074992


SMILES CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O
InChIKey MCEYCZMPZCYMEI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
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 7.64 7.64 7.64 ChEMBL
A3 AA3R Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
A1 AA1R Human Adenosine A pKi 8.0 8.29 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database