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


No bioactivity data available.

xanthine amine congener


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I
Phase II
Phase III
Phase IV

Database connections

Structure pdb 3REY
Ligand site mutations A1 A2A A2B A3


Compound is not listed as a drug.