Details of the Drug

General Information of Drug (ID: DM0QZ6I)

Drug Name

D-kynurenine

Synonyms

D-Kynurenine; 13441-51-5; (R)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid; UNII-DK8PQD0WC5; DK8PQD0WC5; CHEBI:86262; (2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid; K-8980; Kynurenine, D-; D-2-Amino-4-[2-aminophenyl]-4-oxobutanoic acid; D-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid; D-KYN; D-Kynurenine, free base; AC1LMC0V; GTPL5799; SCHEMBL13969610; CHEMBL1233899; Benzenebutanoic acid, alpha,2-diamino-gamma-oxo-, (R)-; CTK8C4802; DTXSID50360767; Benzenebutanoic acid, alpha,2-diamino-gamma-oxo-, (alphaR)-; ZINC901103

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

208.21

Logarithm of the Partition Coefficient (xlogp)

-2.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H12N2O3
IUPAC Name: (2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)C[C@H](C(=O)O)N)N
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-/m1/s1
InChIKey: YGPSJZOEDVAXAB-MRVPVSSYSA-N

Cross-matching ID

PubChem CID: 1152206
ChEBI ID: CHEBI:86262
CAS Number: 13441-51-5
TTD ID: D09DXN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hydroxycarboxylic acid receptor 3 (HCAR3)	TT8WFXV	HCAR3_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5799).
2	Aromatic D-amino acids act as chemoattractant factors for human leukocytes through a G protein-coupled receptor, GPR109B. Proc Natl Acad Sci U S A. 2009 Mar 10;106(10):3930-4.