CHEMBL583747


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nc31)[C@H](O)[C@@H]2O
InChIKey JTCAHGYSBRRENF-WVKKNMACSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 15
Molecular weight (Da) 792.3

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
A3 AA3R Human Adenosine A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.6 8.6 8.6 ChEMBL