CHEMBL2413107


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C
InChIKey HTHMELJUQYDPKF-PPMKIKMNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 18
Molecular weight (Da) 692.4

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 Rat Adenosine A pKi 5.95 5.95 5.95 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.63 6.63 6.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database