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
InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
InChIKey
IOVCWXUNBOPUCH-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
946
ChEBI ID
CHEMBL16301
CAS Number
14797-65-0
UNII
J39976L608
DrugBank ID
DB12529
INTEDE ID
DR2117
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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
Low affinity immunoglobulin epsilon Fc receptor (FCER2) OTU40XWZ FCER2_HUMAN Biotransformations [2]
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 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.