Detailed information for compound 1005910

Basic information

Technical information
  • TDR Targets ID: 1005910
  • Name: 2-(morpholin-4-ylmethyl)-6-(phenylmethylidene )cyclohexan-1-one
  • MW: 285.381 | Formula: C18H23NO2
  • H donors: 0 H acceptors: 1 LogP: 2.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(CCC/C/1=C\c1ccccc1)CN1CCOCC1
  • InChi: 1S/C18H23NO2/c20-18-16(13-15-5-2-1-3-6-15)7-4-8-17(18)14-19-9-11-21-12-10-19/h1-3,5-6,13,17H,4,7-12,14H2/b16-13+
  • InChiKey: XLHVHZOUMWHBQL-DTQAZKPQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6E)-2-(morpholin-4-ylmethyl)-6-(phenylmethylidene)cyclohexan-1-one
  • 2-(morpholinomethyl)-6-(phenylmethylene)cyclohexan-1-one
  • (6E)-2-(morpholinomethyl)-6-(phenylmethylene)cyclohexan-1-one
  • (6E)-2-(morpholinomethyl)-6-(phenylmethylene)-1-cyclohexanone
  • 2-(morpholinomethyl)-6-(phenylmethylene)-1-cyclohexanone
  • (2E)-2-(benzylidene)-6-(morpholinomethyl)cyclohexan-1-one
  • 2-(benzylidene)-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 beta-lactamase 0.0112 0.1312 0.2185
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1006 0.1676
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0219 0.0311
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.1498 0.2063
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3991 1
Mycobacterium ulcerans hypothetical protein 0.0157 0.196 0.2845
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Schistosoma mansoni lipoxygenase 0.0087 0.0957 0.1359
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.3991 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1006 0.143
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0603 0.083
Brugia malayi beta-lactamase family protein 0.0112 0.1312 0.2185
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1312 0.1864
Schistosoma mansoni hypothetical protein 0.0034 0.0188 0.0267
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0603 0.0857
Onchocerca volvulus 0.0063 0.0603 0.0877
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1006 0.1385
Trichomonas vaginalis set domain proteins, putative 0.0498 0.6873 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0219 0.0301
Onchocerca volvulus 0.0112 0.1312 0.1907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1006 0.1385
Echinococcus multilocularis transient receptor potential cation channel 0.0525 0.7266 1
Brugia malayi follicle stimulating hormone receptor 0.0242 0.3182 0.5302
Loa Loa (eye worm) beta-lactamase 0.0112 0.1312 0.2185
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0219 0.0302
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0603 0.0831
Plasmodium vivax SET domain protein, putative 0.0063 0.0603 0.46
Mycobacterium leprae Probable lipase LipE 0.0112 0.1312 0.5
Onchocerca volvulus 0.0049 0.0404 0.0588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1006 0.1385
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0603 0.083
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.6002 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.3991 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.1312 0.1806
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.5
Mycobacterium ulcerans glutaminase 0.027 0.359 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0435 0.0358
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1312 0.2735
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.5
Schistosoma mansoni hypothetical protein 0.0178 0.2267 0.3222
Loa Loa (eye worm) hypothetical protein 0.0034 0.0188 0.0313
Schistosoma mansoni lipoxygenase 0.0125 0.1498 0.2129
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.057 0.0785
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0603 0.0857
Trichomonas vaginalis glutaminase, putative 0.027 0.359 0.4097
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0188 0.0313
Brugia malayi Pre-SET motif family protein 0.0437 0.6002 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Loa Loa (eye worm) hypothetical protein 0.0049 0.0404 0.0674
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.1312 0.2185
Schistosoma mansoni glutaminase 0.027 0.359 0.5101
Onchocerca volvulus 0.0112 0.1312 0.1907
Onchocerca volvulus 0.0112 0.1312 0.1907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0603 0.0857
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.5
Echinococcus multilocularis tumor protein p63 0.0334 0.4516 0.6216
Brugia malayi glutaminase DH11.1 0.027 0.359 0.5982
Echinococcus multilocularis geminin 0.0178 0.2267 0.3121
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.3182 0.5302
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0509 0.7038 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1006 0.1385
Brugia malayi beta-lactamase family protein 0.0112 0.1312 0.2185
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1006 0.1676
Brugia malayi hypothetical protein 0.0036 0.0219 0.0365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1006 0.143
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1312 0.2735
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0603 0.0857
Onchocerca volvulus 0.0498 0.6876 1
Schistosoma mansoni hypothetical protein 0.0178 0.2267 0.3222
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0404 0.0575
Loa Loa (eye worm) glutaminase 2 0.027 0.359 0.5982
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0603 0.2302
Echinococcus granulosus tumor protein p63 0.0334 0.4516 0.6219
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.1312 0.2735
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.173 0.3871
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0414 0.069
Plasmodium falciparum LCCL domain-containing protein 0.0021 0 0.5
Brugia malayi Pre-SET motif family protein 0.0063 0.0603 0.1005
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.173 0.1563
Echinococcus granulosus geminin 0.0178 0.2267 0.3122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1006 0.143
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.1312 0.1805
Echinococcus granulosus ankyrin repeat protein 0.0509 0.7038 0.9691
Loa Loa (eye worm) glutaminase 0.027 0.359 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.1312 0.2185
Schistosoma mansoni hypothetical protein 0.0036 0.0219 0.0311
Plasmodium vivax hypothetical protein, conserved 0.0112 0.1312 1
Mycobacterium leprae conserved hypothetical protein 0.0112 0.1312 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.069
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0414 0.069
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.1498 0.2062
Toxoplasma gondii ABC1 family protein 0.0112 0.1312 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0414 0.069
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0525 0.7262 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3991 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.196 0.0746
Loa Loa (eye worm) hypothetical protein 0.0063 0.0603 0.1005
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.173 0.3871
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1312 0.1864
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.1312 0.2185
Echinococcus multilocularis ankyrin repeat protein 0.0509 0.7038 0.9686

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 3.125 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.