Details of the Drug

General Information of Drug (ID: DMYU65F)

Drug Name

L-Tryptophan-L-arginine

Synonyms

CHEMBL477417; CHEBI:74866; 88831-09-8; Tryptophyl-Arginine; L-tryptophyl-L-arginine; L-Arginine, L-tryptophyl-; L-Tryptophan-L-arginine; tryptophanyl-arginine; L-Trp-L-Arg; SCHEMBL4947728; CTK3A5775; WR; ZINC2561117; BDBM50266680; AKOS030606594; H-Trp-Arg-OH inverted exclamation mark currency 2 HCl

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): 2

Molecular Weight (mw)

360.4

Logarithm of the Partition Coefficient (xlogp)

-3.2

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H24N6O3
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N
InChI: InChI=1S/C17H24N6O3/c18-12(8-10-9-22-13-5-2-1-4-11(10)13)15(24)23-14(16(25)26)6-3-7-21-17(19)20/h1-2,4-5,9,12,14,22H,3,6-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)/t12-,14-/m0/s1
InChIKey: LCPVBXOHXMBLFW-JSGCOSHPSA-N

Cross-matching ID

PubChem CID: 25186251
ChEBI ID: CHEBI:74866
TTD ID: D0M7AT

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.