CHEMBL217076


SMILES CCCn1c(=O)c2nc([C@]34CC[C@](/C=C/C(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O
InChIKey VPQZQQILWCCMPS-UYGKQXMSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 414.2

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 7.0 7.0 7.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A1 AA1R Human Adenosine A pKi 8.02 8.02 8.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database