xanthine amine congener



xanthine amine congener

N O N H O O N H N 2 H N N O

SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O
InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 428.2

Database connections

Structure pdb 3REY
Ligand site mutations A1 A2A A2B A3

Bioactivities

xanthine amine congener

N O N H O O N H N 2 H N N O

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV

Database connections

Structure pdb 3REY
Ligand site mutations A1 A2A A2B A3

Compound is not listed as a drug.