CHEMBL4218673


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O
InChIKey PBRHWMDJSZEWLM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 659.3

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
A2A AA2AR Rat Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.11 7.11 7.11 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.23 8.23 8.23 ChEMBL
A3 AA3R Human Adenosine A pKi 5.34 5.34 5.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
A1 AA1R Human Adenosine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database