Details of the Drug

General Information of Drug (ID: DMGLWOM)

Drug Name
7-Nitroindazole-2-Carboxamidine
Synonyms 7-nitroindazole-2-carboxamidine; 7-nitro-2h-indazole-2-carboximidamide; 7I2; AC1L1CGX; SCHEMBL4315825; CTK5I3867; 7-nitroindazole-2-carboximidamide; 7-Nitro-2H-indazole-2-carboxamidine
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) 205.17
Topological Polar Surface Area (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H7N5O2
IUPAC Name
7-nitroindazole-2-carboximidamide
Canonical SMILES
C1=CC2=CN(N=C2C(=C1)[N+](=O)[O-])C(=N)N
InChI
InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)
InChIKey
GFYAZUABYOOPCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1894
DrugBank ID
DB03065
TTD ID
D0N5LD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
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
Nitric-oxide synthase endothelial (NOS3) DTT NOS3 3.68E-01 -0.11 -0.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2 Effect of tilarginine acetate in patients with acute myocardial infarction and cardiogenic shock: the TRIUMPH randomized controlled trial. JAMA. 2007 Apr 18;297(15):1657-66.
3 Counter-regulation by atorvastatin of gene modulations induced by L-NAME hypertension is associated with vascular protection. Vascul Pharmacol. 2009 Oct;51(4):253-61.
4 CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
5 Nitric oxide synthase inhibition with the antipterin VAS203 improves outcome in moderate and severe traumatic brain injury: a placebo-controlled randomized Phase IIa trial (NOSTRA). J Neurotrauma. 2014 Oct 1;31(19):1599-606.
6 Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.
7 Feasibility of using autologous transplantation to evaluate hematopoietic stem cell-based gene therapy strategies in transgenic mouse models of human disease. Mol Ther. 2002 Sep;6(3):422-8.
8 Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
9 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.