xanthine amine congener



xanthine amine congener


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

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

xanthine amine congener


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Clinical Trials

Phase I 0
Phase II 0
Phase III 0
Approved No

Database connections

Structure pdb 3REY
Ligand site mutations A1 A2A A2B A3

Compound is not listed as a drug.