CHEMBL412112


SMILES CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21
InChIKey PJWUUDRQACIYIH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 569.2

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
A2B AA2BR Human Adenosine A pKi 8.69 8.7 8.7 ChEMBL
A3 AA3R Human Adenosine A pKi 5.65 5.65 5.65 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
A1 AA1R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database