Detailed information for compound 512095

Basic information

Technical information
  • TDR Targets ID: 512095
  • Name: (NE)-N-(2,3-dimethylcyclohex-2-en-1-ylidene)h ydroxylamine
  • MW: 139.195 | Formula: C8H13NO
  • H donors: 1 H acceptors: 1 LogP: 1.44 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\CCCC(=C1C)C
  • InChi: 1S/C8H13NO/c1-6-4-3-5-8(9-10)7(6)2/h10H,3-5H2,1-2H3/b9-8+
  • InChiKey: WTZXSELQBLEEBO-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-dimethylcyclohex-2-en-1-one oxime
  • 2,3-dimethyl-1-cyclohex-2-enone oxime
  • (NE)-N-(2,3-dimethyl-1-cyclohex-2-enylidene)hydroxylamine
  • (E)2,3-Dimethylcyclohex-2-en,oxime

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.6891 0.4724
Schistosoma mansoni DNA helicase recq5 0.002 0.6891 1
Echinococcus granulosus bloom syndrome protein 0.002 0.6891 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.6891 1
Brugia malayi Bloom's syndrome protein homolog 0.002 0.6891 0.4724
Loa Loa (eye worm) hypothetical protein 0.002 0.6891 0.6807
Schistosoma mansoni hypothetical protein 0.0011 0.083 0.0856
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 1 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.6891 0.5
Leishmania major hypothetical protein, conserved 0.0025 1 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0262 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.6891 0.4724
Toxoplasma gondii LsmAD domain-containing protein 0.0025 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0262 0.0000000057248
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.6891 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 1 1
Schistosoma mansoni DNA helicase recq1 0.002 0.6891 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.6891 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.6891 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.6891 1
Entamoeba histolytica recQ family DNA helicase 0.001 0.0262 0.0381
Entamoeba histolytica recQ family helicase, putative 0.002 0.6891 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.6891 0.6891
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.6891 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0262 0.0262
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.6891 0.6807
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.6891 0.6891
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.6891 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.6891 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0262 0.0262
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.6891 0.6807
Plasmodium vivax ataxin-2 like protein, putative 0.0025 1 1
Loa Loa (eye worm) RecQ helicase 0.002 0.6891 0.6807
Trypanosoma brucei PAB1-binding protein , putative 0.0025 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) 0 Toxicity in human liver microsomes assessed as formation of -15 dalton ketone derived glutathione conjugates by GSH trapping technique ChEMBL. 18370375
Activity (ADMET) = 1.1 Dermal toxicity in CBA/Ca mouse assessed as skin sensitization stimulation index by measuring increase in [3H]thymidine incorporation at 0.1% w/v administered on ear dorsum by local lymph node assay relative to control ChEMBL. 18370375
Activity (ADMET) = 1.16 Dermal toxicity in CBA/Ca mouse assessed as skin sensitization stimulation index by measuring increase in [3H]thymidine incorporation at 10% w/v administered on ear dorsum by local lymph node assay relative to control ChEMBL. 18370375
Activity (ADMET) = 1.24 Dermal toxicity in CBA/Ca mouse assessed as skin sensitization stimulation index by measuring increase in [3H]thymidine incorporation at 1% w/v administered on ear dorsum by local lymph node assay relative to control ChEMBL. 18370375
Activity (ADMET) = 1.3 Dermal toxicity in CBA/Ca mouse assessed as skin sensitization stimulation index by measuring increase in [3H]thymidine incorporation at 20% w/v administered on ear dorsum by local lymph node assay relative to control ChEMBL. 18370375
Activity (ADMET) = 1.43 Dermal toxicity in CBA/Ca mouse assessed as skin sensitization stimulation index by measuring increase in [3H]thymidine incorporation at 5% w/v administered on ear dorsum by local lymph node assay relative to control ChEMBL. 18370375
Activity (ADMET) > 1.4 mM Dermal toxicity in CBA/Ca mouse assessed as drug level inducing 3 times increase in skin sensitization stimulation index by measuring [3H]thymidine incorporation relative to control ChEMBL. 18370375
Activity (ADMET) > 1.4 mM Dermal toxicity in CBA/Ca mouse assessed as drug level inducing 3 times increase in skin sensitization stimulation index by measuring [3H]thymidine incorporation relative to control ChEMBL. 18370375

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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