CHEMBL428245


SMILES O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCC1
InChIKey LNSSSKHVPAVKJO-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 586.0

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 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database