KYNURENINE (PD008579, YGPSJZOEDVAXAB-QMMMGPOBSA-N)

General

Preferred name

KYNURENINE

Synonyms

(S)-Kynurenine

L-Kynurenine

L-Kynurenine-d4

P&D ID

PD008579

CAS

2922-83-0

2672568-86-2

Tags

available

drug candidate

Drug Status

experimental

investigational

Max Phase

1.0

Structure

PD008579

KYNURENINE

RO5

208.08

HBA

HBD

LOGP

0.25

5314

Structure formats

SMILES

Nc1ccccc1C(=O)C[C@H](N)C(=O)O

InChI

InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1

InChIkey

YGPSJZOEDVAXAB-QMMMGPOBSA-N

MOL

KYNURENINE RDKit 2D 15 15 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 6 11 13 1 0 13 14 2 0 13 15 1 0 7 2 1 0 M END > <ID> PD008579 > <Name> KYNURENINE

Description

(extracted from source data)

DESCRIPTION High affinity PPARgamma ligand; blocks Cdk5-dependent PPARgamma phosphorylation (Tocris Bioactive Compound Library)

Protein targets

5.37

KYNU Kynureninase

BIOCHEM 5x

4.67

AHR Aryl hydrocarbon receptor

4.15

FFP 4'-phosphopantetheinyl transferase ffp

Target pathways

Aryl hydrocarbon receptor signalling

R-HSA-8937144

AHR

Endogenous sterols

R-HSA-211976

AHR

Phase I - Functionalization of compounds

R-HSA-211945

AHR

PPARA activates gene expression

R-HSA-1989781

AHR

Tryptophan catabolism

R-HSA-71240

KYNU

Xenobiotics

R-HSA-211981

AHR

References

2020 Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).

Dolciami D, Ballarotto M et al. Eur J Med Chem

1996 Synthesis of phosphinic acid transition state analogues for the reaction catalysed by kynureninase

Ross FC, Botting NP et al. Bioorg. Med. Chem. Lett.

PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease: Purified N370S Glucocerebrosidase. (Class of assay: confirmatory) [Related pubchem assays: 2101 ] AID 2597

Compound Sets

Cayman Chemical Bioactives

11305

36307

ChEMBL Drugs

CHEMBL498416

Drug Repurposing Hub

DrugBank

DB02070

MedChem Express Bioactive Compound Library

HY-104026

Selleckchem Bioactive Compound Library