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]
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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: CHEBI:141447
TTD ID: D0IW8V

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.