GOK

2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide

Created: 2018-10-01
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count16
2D diagram of GOK
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Chemical Component Summary

Name2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
FormulaC21 H26 N6 O2
Molecular Weight394.47
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14
SMILESOpenEye OEToolkits2.0.6Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO
Canonical SMILESCACTVS3.385 Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO
InChIInChI1.03 InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
InChIKeyInChI1.03 PAWIYAYFNXQGAP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB12985 
NameQuisinostat
Groups investigational
DescriptionQuisinostat has been used in trials studying the treatment of Lymphoma, Neoplasms, Myelodysplastic Syndromes, and Advanced or Refractory Leukemia.
SynonymsQuisinostat
Categories
  • Amines
  • Hydroxy Acids
  • Hydroxylamines
CAS number875320-29-9

Related Resource References

Resource NameReference
Pharos CHEMBL2105763
PubChem 11538455
ChEMBL CHEMBL2105763
ChEBI CHEBI:94771