Details of the Drug

General Information of Drug (ID: DMITMN9)

Drug Name
Meta-Nitro-Tyrosine
Synonyms
3-Nitro-L-tyrosine; 621-44-3; 3-Nitrotyrosine; H-Tyr(3-NO2)-OH; L-3-Nitrotyrosine; Meta-Nitro-Tyrosine; Tyrosine, 3-nitro-; L-Tyrosine, 3-nitro-; H-3-Nitro-Tyr-OH; UNII-7COY1HA6HK; Tyrosine, 3-nitro-, L-; 3-Mononitrotyrosine; CCRIS 3566; (S)-2-Amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; EINECS 210-688-6; NSC 37413; 7COY1HA6HK; AI3-63160; H-4-Hydroxy-3-nitro-Phe-OH; CHEBI:44454; FBTSQILOGYXGMD-LURJTMIESA-N; MFCD00007123; 3-Nitro-L-tyrosine crystalline; m-Nitrotyrosine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 226.19
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H10N2O5
IUPAC Name
(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Canonical SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
InChI
InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey
FBTSQILOGYXGMD-LURJTMIESA-N
Cross-matching ID
PubChem CID
65124
ChEBI ID
CHEBI:44454
CAS Number
621-44-3
DrugBank ID
DB03867
TTD ID
D0K1AW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutathione reductase (GR) TTEP6RV GSHR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.