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]
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
PubChem CID
7090494
ChEBI ID
CHEMBL6251
CAS Number
7300-59-6
TTD ID
D00IWH
VARIDT ID
DR01069
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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]
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.