Details of the Drug

General Information of Drug (ID: DM29RO1)

Drug Name

p-nitrophenyl glutamyl anilide

Synonyms

gamma-glutamyl-p-nitroanilide; p-nitrophenyl glutamyl anilide; AC1OF0UB; GTPL4508; (2S)-2-azaniumyl-5-(4-nitroanilino)-5-oxopentanoate

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

267.24

Logarithm of the Partition Coefficient (xlogp)

-1.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H13N3O5
IUPAC Name: (2S)-2-azaniumyl-5-(4-nitroanilino)-5-oxopentanoate
Canonical SMILES: C1=CC(=CC=C1NC(=O)CC[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-]
InChI: InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKey: WMZTYIRRBCGARG-VIFPVBQESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alanine/serine/cysteine transporter 2 (SLC1A5)	TTF7WRM	AAAT_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4508).
2	Ngamma-aryl glutamine analogues as probes of the ASCT2 neutral amino acid transporter binding site. Bioorg Med Chem. 2005 Feb 15;13(4):1111-8.