7NI

7-NITROINDAZOLE

Created: 1999-09-14
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count10
2D diagram of 7NI
Toggle HydrogenToggle Labels

Chemical Component Summary

Name7-NITROINDAZOLE
Systematic Name (OpenEye OEToolkits)7-nitro-1H-indazole
FormulaC7 H5 N3 O2
Molecular Weight163.133
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)c1cccc2c1nnc2
SMILESCACTVS3.341[O-][N+](=O)c1cccc2cn[nH]c12
SMILESOpenEye OEToolkits1.5.0c1cc2cn[nH]c2c(c1)[N+](=O)[O-]
Canonical SMILESCACTVS3.341 [O-][N+](=O)c1cccc2cn[nH]c12
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2cn[nH]c2c(c1)[N+](=O)[O-]
InChIInChI1.03 InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKeyInChI1.03 PQCAUHUKTBHUSA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02207 
Name7-Nitroindazole
Groups experimental
Synonyms7-Nitroindazole
Categories
  • Analgesics
  • Anti-Anxiety Agents
  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
CAS number2942-42-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknown
Nitric oxide synthase, inducibleMACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...unknown
Nitric oxide synthase, brainMEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...unknowninhibitor
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 CHEMBL247378
PubChem 1893
ChEMBL CHEMBL247378
CCDC/CSD FULKUS, FULKUS01