CHEMBL2414812


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)CCC4=CC5Cc6c(C)cc(C)n6[B-](F)(F)[N+]5=C4)ncnc32)[C@H](O)[C@@H]1O
InChIKey KALGXDIVDLLYAP-BLFUEQJCSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 768.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL