Detailed information for compound 1178651

Basic information

Technical information
  • TDR Targets ID: 1178651
  • Name: (2E)-2-[(4-methoxyphenyl)methylidene]-6-(morp holin-4-ylmethyl)cyclohexan-1-one
  • MW: 315.407 | Formula: C19H25NO3
  • H donors: 0 H acceptors: 1 LogP: 2.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/1\CCCC(C1=O)CN1CCOCC1
  • InChi: 1S/C19H25NO3/c1-22-18-7-5-15(6-8-18)13-16-3-2-4-17(19(16)21)14-20-9-11-23-12-10-20/h5-8,13,17H,2-4,9-12,14H2,1H3/b16-13+
  • InChiKey: HNQRRYKKTAFSHG-DTQAZKPQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E)-2-[(4-methoxyphenyl)methylene]-6-(morpholinomethyl)cyclohexan-1-one
  • (2E)-2-[(4-methoxyphenyl)methylene]-6-(morpholinomethyl)-1-cyclohexanone
  • (2E)-2-(4-methoxybenzylidene)-6-(morpholinomethyl)cyclohexan-1-one

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 PAS domain containing protein 0.0096 0.1182 0.1115
Brugia malayi Cytochrome P450 family protein 0.0094 0.1148 0.1081
Trypanosoma cruzi cytochrome P450, putative 0.0094 0.1148 0.3236
Loa Loa (eye worm) MBCTL1 0.0054 0.0228 0.0228
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0228 0.0315
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0187 0.3288 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0228 0.0228
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0187 0.3288 0.6643
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0255 0.0413
Loa Loa (eye worm) cytochrome P450 family protein 0.0094 0.1148 0.1148
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0348 0.2185
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0187 0.3288 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.3394 0.6862
Brugia malayi hypothetical protein 0.0321 0.6377 0.6349
Schistosoma mansoni hypothetical protein 0.0053 0.0187 0.0196
Loa Loa (eye worm) cytochrome P450 0.005 0.0125 0.0125
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0228 0.0268
Schistosoma mansoni survival motor neuron protein 0.0053 0.0187 0.0196
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0237 0.0334
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0187 0.3288 0.675
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0187 0.3288 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2967 0.6036
Onchocerca volvulus 0.0053 0.0187 0.0413
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0228 0.0315
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0187 0.3288 0.675
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0255 0.0371
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0228 0.0315
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0255 0.0413
Echinococcus multilocularis geminin 0.0159 0.2632 0.5286
Brugia malayi Cytochrome P450 family protein 0.0145 0.2318 0.2259
Echinococcus multilocularis survival motor neuron protein 1 0.0258 0.4911 1
Loa Loa (eye worm) CYP4Cod1 0.0094 0.1148 0.1148
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0348 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.4748 0.4708
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0187 0.3288 0.6643
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0237 0.0334
Echinococcus multilocularis transfer RNA-Lys 0.0071 0.0609 0.1102
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0187 0.3288 0.5
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0187 0.3288 0.6643
Leishmania major cytochrome p450-like protein 0.0094 0.1148 0.3236
Loa Loa (eye worm) hypoxia-induced factor 1 0.0296 0.5803 0.5803
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0076 0.0076
Trypanosoma cruzi cytochrome P450, putative 0.0094 0.1148 0.3236
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0255 0.0316
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0255 0.0371
Brugia malayi Muscleblind-like protein 0.014 0.2199 0.2139
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Loa Loa (eye worm) hypothetical protein 0.0048 0.0076 0.0076
Brugia malayi Cytochrome P450 family protein 0.005 0.0125 0.0049
Echinococcus multilocularis 0.005 0.0125 0.0101
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0187 0.3288 0.5666
Schistosoma mansoni single-minded 0.0096 0.1182 0.1951
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0348 0.0707
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0348 0.0564
Echinococcus granulosus cytochrome P450 2K1 0.005 0.0125 0.0101
Echinococcus granulosus muscleblind protein 0.014 0.2199 0.4391
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0348 0.0481
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0228 0.0315
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.3394 0.6862
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0187 0.3288 0.3237
Schistosoma mansoni hypothetical protein 0.0294 0.5745 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Loa Loa (eye worm) hypothetical protein 0.0187 0.3288 0.3288
Mycobacterium leprae Conserved hypothetical protein 0.005 0.0125 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Echinococcus granulosus geminin 0.0159 0.2632 0.5286
Mycobacterium leprae putative cytochrome p450 0.005 0.0125 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0187 0.3288 0.6643
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0255 0.0413
Brugia malayi hypothetical protein 0.0258 0.4911 0.4872
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0255 0.0255
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Brugia malayi hypoxia-induced factor 1 0.0296 0.5803 0.5771
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Brugia malayi Cytochrome P450 family protein 0.0094 0.1148 0.1081
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0255 0.5834
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Trypanosoma brucei cytochrome P450, putative 0.0094 0.1148 0.3236
Brugia malayi MAP kinase sur-1 0.0056 0.0255 0.0181
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0348 0.2185
Onchocerca volvulus 0.0071 0.0609 0.1983
Echinococcus multilocularis muscleblind protein 1 0.014 0.2199 0.4391
Loa Loa (eye worm) cytochrome P450 family protein 0.0145 0.2318 0.2318
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0348 0.0564
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0255 0.0413
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0187 0.3288 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0255 0.0371
Brugia malayi bHLH-PAS transcription factor 0.0071 0.0609 0.0537
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2967 0.6036
Schistosoma mansoni hypothetical protein 0.005 0.0125 0.0086
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0348 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0096 0.1182 0.1951
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0228 0.0153
Mycobacterium ulcerans putative regulatory protein 0.0071 0.0609 0.4729
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0255 0.0371
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0255 0.0413
Brugia malayi cytochrome P450 0.005 0.0125 0.0049
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0348 0.0481
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0255 0.0413
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.4748 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0255 0.0413
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2763 0.5582
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0094 0.1148 1
Trypanosoma brucei protein kinase, putative 0.0056 0.0255 0.0413
Schistosoma mansoni hypothetical protein 0.0159 0.2632 0.4509
Loa Loa (eye worm) hypothetical protein 0.0321 0.6377 0.6377
Loa Loa (eye worm) hypothetical protein 0.014 0.2199 0.2199
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0187 0.3288 1
Echinococcus granulosus survival motor neuron protein 1 0.0258 0.4911 1
Echinococcus multilocularis muscleblind protein 0.014 0.2199 0.4391
Echinococcus granulosus single minded 2 0.0071 0.0609 0.1102
Loa Loa (eye worm) hypothetical protein 0.0258 0.4911 0.4911
Loa Loa (eye worm) cytochrome P450 family protein 0.0094 0.1148 0.1148
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.3288 0.675
Loa Loa (eye worm) hypothetical protein 0.014 0.2199 0.2199
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.4748 0.4748
Schistosoma mansoni lipoxygenase 0.0055 0.0237 0.0285
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0187 0.3288 0.6643
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0348 0.2185
Schistosoma mansoni cytochrome P450 0.005 0.0125 0.0086
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.2763 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0187 0.0112
Schistosoma mansoni hypothetical protein 0.0159 0.2632 0.4509
Echinococcus granulosus ubiquitin specific protease 41 0.0187 0.3288 0.6643
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0187 0.3288 0.5666

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Saccharomyces cerevisiae after 48 hrs by macro tube dilution method ChEMBL. 19084292
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 after 48 hrs by macro tube dilution method ChEMBL. 19084292

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

No literature references available for this target.

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