E0G

4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide

Created: 2017-11-20
Last modified:  2017-11-29

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count11
2D diagram of E0G
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Chemical Component Summary

Name4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide
Systematic Name (OpenEye OEToolkits)4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide
FormulaC23 H27 F3 N4 O3
Molecular Weight464.481
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(N)=O)c(N[CH]4CC[CH](O)CC4)c3
SMILESOpenEye OEToolkits2.0.6CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C
Canonical SMILESCACTVS3.385 CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(N)=O)c(N[C@@H]4CC[C@@H](O)CC4)c3
Canonical SMILESOpenEye OEToolkits2.0.6 CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C
InChIInChI1.03 InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-
InChIKeyInChI1.03 ZFVRYNYOPQZKDG-MQMHXKEQSA-N

Drug Info: DrugBank

DrugBank IDDB17055 
NameSNX-2112
Groups investigational
DescriptionSNX-2112 is a heat shock protein 90 (Hsp90) inhibitor.[A253137]
Synonyms
  • SNX-2112
  • Benzamide, 2-((trans-4-hydroxycyclohexyl)amino)-4-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)-
Categories
  • Heterocyclic Compounds, Fused-Ring
  • HSP90 Heat-Shock Proteins, antagonists & inhibitors
CAS number908112-43-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Heat shock protein HSP 90-alphaMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELIS...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