CHEMBL603051


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCNC(=O)c5ccc(-c6c7ccc(=N)c(S(=O)(=O)O)c-7oc7c(S(=O)(=O)O)c(N)ccc67)c(C(=O)O)c5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey DUFFYMXQMNSLLQ-CFDBQPFWSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 10
Rotatable bonds 21
Molecular weight (Da) 1190.3

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 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database