CHEMBL3350754


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCN4/C(=C/C=C/C=C/C5=[N+](CC)c6ccc(S(=O)(=O)O)cc6C5(C)C)C(C)(C)c5cc(S(=O)(=O)[O-])ccc54)cc3)nc2n(CCC)c1=O
InChIKey NBSRJJANZVWSHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 23
Molecular weight (Da) 1066.4

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
A1 AA1R Human Adenosine A pKd 5.59 5.59 5.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database