Details of the Drug

General Information of Drug (ID: DMYLONS)

Drug Name

L-Tryptophan-L-2-aminoadipic acid

Synonyms

CHEMBL515773; L-Tryptophan-L-2-aminoadipic 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)

347.4

Logarithm of the Partition Coefficient (xlogp)

-2.2

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H21N3O5
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanedioic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCC(=O)O)C(=O)O)N
InChI: InChI=1S/C17H21N3O5/c18-12(8-10-9-19-13-5-2-1-4-11(10)13)16(23)20-14(17(24)25)6-3-7-15(21)22/h1-2,4-5,9,12,14,19H,3,6-8,18H2,(H,20,23)(H,21,22)(H,24,25)/t12-,14-/m0/s1
InChIKey: LKKDYAZRMNSFJN-JSGCOSHPSA-N

Cross-matching ID

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)

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.