CHEMBL589513


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC54)nc31)[C@H](O)[C@@H]2O
InChIKey AHJQRNYCTYLVOX-QAWYQWHFSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 9
Rotatable bonds 21
Molecular weight (Da) 905.4

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 Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database