Details of the Drug

General Information of Drug (ID: DMR5XT3)

Drug Name
Nitrite
Synonyms
LS-193697; NO2(-); Nitrit; Nitrite (8CI,9CI); Nitrite Ion; Nitrite anion; Nitrite ion (NO2-); Nitrite(1-); Nitrites; Nitrogen Oxide Anion; Nitrogen dioxide ion(1-); Nitrogen peroxide ion(1-); Nitrous acid, ion(1-); dioxidonitrate(1-); dioxonitrate(1-); dioxonitrate(III); nitrite; 14797-65-0; 1937AH; AB01566909_01; AC1L1ADT; BDBM26989; CHEBI:16301; CHEMBL1361; CTK0H5378; DB12529; DTXSID5024219; MFCD00144923; NCGC00090737-03; NCGC00090737-04; NO2; NO2-; ONO-; UNII-J39976L608; IOVCWXUNBOPUCH-UHFFFAOYSA-M; J39976L608; [NO2](-)
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 46.006
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
NO2-
IUPAC Name
nitrite
Canonical SMILES
N(=O)[O-]
InChI
IOVCWXUNBOPUCH-UHFFFAOYSA-M
InChIKey
1S/HNO2/c2-1-3/h(H,2,3)/p-1
Cross-matching ID
PubChem CID
946
ChEBI ID
CHEBI:16301
CAS Number
14797-65-0
DrugBank ID
DB12529
INTEDE ID
DR2117

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
MOSC domain-containing protein 1 (MARC1) DE1VDSF MARC1_HUMAN Substrate [1]
MOSC domain-containing protein 2 (MARC2) DE6QH2D MARC2_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Erythropoietin (EPO) OTZ90CN4 EPO_HUMAN Regulation of Drug Effects [2]
Interleukin-1 beta (IL1B) OT0DWXXB IL1B_HUMAN Regulation of Drug Effects [3]
Low affinity immunoglobulin epsilon Fc receptor (FCER2) OTU40XWZ FCER2_HUMAN Biotransformations [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Nitrite reductase and nitric-oxide synthase activity of the mitochondrial molybdopterin enzymes mARC1 and mARC2. J Biol Chem. 2014 Apr 11;289(15):10345-58.
2 Protective action of erythropoietin on neuronal damage induced by activated microglia. FEBS J. 2013 Apr;280(7):1630-42. doi: 10.1111/febs.12172. Epub 2013 Mar 1.
3 Dipyridamole enhances interleukin-1beta-stimulated nitric oxide production by cultured rat vascular smooth muscle cells. Eur J Pharmacol. 1996 Feb 5;296(3):319-26. doi: 10.1016/0014-2999(95)00712-1.
4 Role of CD23 in astrocytes inflammatory reaction during HIV-1 related encephalitis. Cytokine. 2001 Jul 21;15(2):96-107. doi: 10.1006/cyto.2001.0896.