Chemical Component Summary

Name4-iodo-3-nitrobenzamide
SynonymsIniparib
Identifiers4-iodanyl-3-nitro-benzamide
FormulaC7 H5 I N2 O3
Molecular Weight292.031
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1C(=O)N)[N+](=O)[O-])I
InChIInChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKeyMDOJTZQKHMAPBK-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB13877 
NameIniparib
Groups investigational
Synonyms
  • 4-iodo-3-nitrobenzamide
  • Iniparib
Categories
  • Acids, Carbocyclic
  • Amides
  • Antineoplastic Agents
  • Benzene Derivatives
  • Benzoates
CAS number160003-66-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Poly [ADP-ribose] polymerase 1MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...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
PubChem 9796068
ChEMBL CHEMBL1170047
ChEBI CHEBI:95067