NLG919

Ligand id: 9019

Name: NLG919

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 38.05
Molecular weight 282.17
XLogP 4.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
Synonyms
GDC-0919 | NLG 919 | RG6078
Database Links
CAS Registry No. 1402836-58-1 (source: PubChem)
PubChem CID 66558287
Search Google for chemical match using the InChIKey YTRRAUACYORZLX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YTRRAUACYORZLX
Search UniChem for chemical match using the InChIKey YTRRAUACYORZLX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YTRRAUACYORZLX
SynPHARM 83385 (in complex with indoleamine 2,3-dioxygenase 1)
Comments
NLG919 is a potent inhibitor of indoleamine-2,3-dioxygenase (IDO1). IOD1 the first and rate-limiting component of the pathway mediating metabolism of tryptophan to kynurenine. Tryptophan depletion enhances the number and function of the Treg (suppressive) arm of the immune system and inhibits the effector T cell (stimulatory) arm. This action of IDO1 facilitates acquired local and peripheral immune tolerance in normal and pathological conditions. IOD1 inhibitors are being developed as novel therapeutics to reverse the immunosuppression associated with cancer.