Details of the Drug

General Information of Drug (ID: DMPV5D0)

• Drug Name: L-Tryptophan-L-leucine
• Synonyms: H-Trp-Leu-OH; 13123-35-8; L-tryptophyl-L-leucine; CHEMBL477627; CHEBI:74871; Tryptophyl-Leucine; L-Tryptophan-L-leucine; L-Trp-L-Leu; L-Trp-L-Leu-OH; L-Leucine,L-tryptophyl-; AC1OE28P; SCHEMBL7622341; (S)-2-((S)-2-Amino-3-(1H-indol-3-yl)propanamido)-4-methylpentanoic acid; CTK4B7168; ZINC1865984; WL; BDBM50266681; AKOS022180848; AJ-32151; FT-0772989; C-48470; (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 317.4
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H23N3O3
  IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
  Canonical SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
  InChI: InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15-/m0/s1
  InChIKey: LYMVXFSTACVOLP-ZFWWWQNUSA-N
• Cross-matching ID:
  PubChem CID: 6997510
  ChEBI ID: CHEBI:74871
  TTD ID: D0X3RZ

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]

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.