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
UNII
7COY1HA6HK
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.