Details of the Drug

General Information of Drug (ID: DMVFB93)

Drug Name
NITRATE
Synonyms
nitrate; NITRATE ION; 14797-55-8; Nitrate(1-); UNII-T93E9Y2844; Nitrate(6CI,7CI,8CI,9CI); UN3218; CHEMBL186200; NO3-; Nitrates; CHEBI:17632; T93E9Y2844; NO3; trioxidonitrate; trioxonitrate; nitrooxidane; trioxonitrate(V); trioxonitrate(1-); trioxidonitrate(1-); AC1L1ADK; Nitrates, inorganic, n.o.s.; CTK0H4660; BDBM26988; NHNBFGGVMKEFGY-UHFFFAOYSA-N; 84145-82-4 (Parent); NO3(-); AKOS015904030; MCULE-5142506228; [NO3](-); Nitrates, inorganic, aqueous solution, n.o.s.; I14-18318; Nitrates, inorganic, n.o.s. [UN1447] [Oxidizer]; Nitrates, in
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) 62.005
Logarithm of the Partition Coefficient (xlogp) -1.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
NO3-
IUPAC Name
nitrate
Canonical SMILES
[N+](=O)([O-])[O-]
InChI
InChI=1S/NO3/c2-1(3)4/q-1
InChIKey
NHNBFGGVMKEFGY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
943
ChEBI ID
CHEBI:17632
DrugBank ID
DB14049
TTD ID
D00RJT
VARIDT ID
DR00009

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Anion exchange transporter (SLC26A7) DTOTME4 S26A7_HUMAN Substrate [2]
Sodium/iodide cotransporter (SLC5A5) DTZAH46 SC5A5_HUMAN Substrate [3]
Vesicular H(+)/Aspartate-glutamate cotransporter (SLC17A5) DTWLACT S17A5_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cystic fibrosis transmembrane conductance regulator (CFTR) OT6B22QH CFTR_HUMAN Gene/Protein Processing [5]
Interleukin-1 beta (IL1B) OT0DWXXB IL1B_HUMAN Regulation of Drug Effects [6]
Pro-adrenomedullin (ADM) OT7T0TA4 ADML_HUMAN Regulation of Drug Effects [7]
Thyrotropin subunit beta (TSHB) OTFDI39D TSHB_HUMAN Gene/Protein Processing [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Sodium/iodide cotransporter (SLC5A5) DTP NIS 7.70E-16 -2.18E-01 -5.48E-01
Vesicular H(+)/Aspartate-glutamate cotransporter (SLC17A5) DTP AST 4.66E-05 -1.66E-01 -4.42E-01
Anion exchange transporter (SLC26A7) DTP SLC26A7 3.16E-11 -3.62E-01 -7.55E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.
2 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.53.2.6)
3 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.21.5.1)
4 Sialin (SLC17A5) functions as a nitrate transporter in the plasma membrane. Proc Natl Acad Sci U S A. 2012 Aug 14;109(33):13434-9.
5 Novel regulation of cystic fibrosis transmembrane conductance regulator (CFTR) channel gating by external chloride. J Biol Chem. 2004 Oct 1;279(40):41658-63. doi: 10.1074/jbc.M405517200. Epub 2004 Jul 31.
6 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.
7 Adrenomedullin contributes to vascular hyporeactivity in cirrhotic rats with ascites via a release of nitric oxide. Scand J Gastroenterol. 2004 Jul;39(7):686-93. doi: 10.1080/00365520410005306.
8 Goitrogenic anions, thyroid-stimulating hormone, and thyroid hormone in infants. Environ Health Perspect. 2010 Sep;118(9):1332-7. doi: 10.1289/ehp.0901736. Epub 2010 Apr 27.