INE

3-BROMO-7-NITROINDAZOLE

Created: 1999-09-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count10
2D diagram of INE
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Chemical Component Summary

Name3-BROMO-7-NITROINDAZOLE
Systematic Name (OpenEye OEToolkits)3-bromo-7-nitro-1H-indazole
FormulaC7 H4 Br N3 O2
Molecular Weight242.03
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)c1cccc2c1nnc2Br
SMILESCACTVS3.341[O-][N+](=O)c1cccc2c(Br)n[nH]c12
SMILESOpenEye OEToolkits1.5.0c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br
Canonical SMILESCACTVS3.341 [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br
InChIInChI1.03 InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
InChIKeyInChI1.03 NFSTZPMYAZRZPC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01997 
Name3-Bromo-7-Nitroindazole
Groups experimental
Synonyms3-Bromo-7-Nitroindazole
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Nitric Oxide Synthase, antagonists & inhibitors
  • Pyrazoles

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknown
Nitric oxide synthase, brainMEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...unknown
Nitric oxide synthase, inducibleMACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL479014
PubChem 1649
ChEMBL CHEMBL479014