CHEMBL386777


SMILES CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O
InChIKey CSJZKKRAYVYQCY-SZPZYZBQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 445.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 5.1 5.1 5.1 ChEMBL
A1 AA1R Human Adenosine A pKi 7.31 7.31 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database