CHEMBL5080823


SMILES CCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O
InChIKey MKKYCVDHNWHQPM-UHFFFAOYSA-N

Chemical properties

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

Drug properties

Molecular type Na
Physiological/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 7.75 7.75 7.75 ChEMBL
A3 AA3R Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A1 AA1R Human Adenosine A pKi 8.11 8.48 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database