compound 6c [PMID: 34435786]


SMILES O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC
InChIKey MEYWNRDHEXYZIX-VISXPRAWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 266.1

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
A3 AA3R Human Adenosine A pKi 8.62 8.62 8.62 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.62 8.62 8.62 ChEMBL
A1 AA1R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.95 7.95 7.95 ChEMBL