Details of the Drug

General Information of Drug (ID: DMWZMCA)

Drug Name
L-Tryptophan-L-asparagine
Synonyms
CHEMBL513911; 175027-11-9; WN dipeptide; H-Trp-Asn-OH; W-N Dipeptide; L-Tryptophyl-L-Asparagine; Tryptophan Asparagine dipeptide; L-Tryptophan-L-asparagine; CHEBI:141447; WN; ZINC2561118; BDBM50266679; (2S)-4-amino-2-{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 318.33
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H18N4O4
IUPAC Name
(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChI
InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1
InChIKey
GRQCSEWEPIHLBI-JQWIXIFHSA-N
Cross-matching ID
PubChem CID
7020170
ChEBI ID
CHEMBL513911
TTD ID
D0IW8V
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PPAR-gamma messenger RNA (PPARG mRNA) TTT2SVW PPARG_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling. Eur J Med Chem. 2008 Dec;43(12):2699-716.