compound 5i [PMID: 24099220]

Ligand id: 8223

Name: compound 5i [PMID: 24099220]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 80.52
Molecular weight 293.04
XLogP 2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-Nitroindolo[2,1-b]quinazoline-6,12-dione
Synonyms
GNF-PF-3777
Database Links
ChEMBL Ligand CHEMBL432537
PubChem CID 478573
Search Google for chemical match using the InChIKey UFMQJYHLIUACCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UFMQJYHLIUACCG
Search UniChem for chemical match using the InChIKey UFMQJYHLIUACCG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UFMQJYHLIUACCG
Comments
Compound 5i is a tryptanthrin derivative which acts as a potent inhihbitor of indoleamine 2,3-dioxygenase 1 (IDO1) [1].