Detailed information for compound 668449

Basic information

Technical information
  • TDR Targets ID: 668449
  • Name: [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-m orpholin-4-ylmethanone
  • MW: 323.818 | Formula: C16H22ClN3O2
  • H donors: 0 H acceptors: 1 LogP: 1.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)N1CCN(CC1)c1ccc(c(c1)Cl)C
  • InChi: 1S/C16H22ClN3O2/c1-13-2-3-14(12-15(13)17)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3
  • InChiKey: AONVBOWAJRDRRB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-morpholino-methanone
  • [4-(3-chloro-4-methylphenyl)-1-piperazinyl]-morpholinomethanone
  • [4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-morpholin-4-yl-methanone
  • BAS 05604665
  • [4-(3-Chloro-4-methyl-phenyl)-piperazin-1-yl]-morpholin-4-yl-methanone
  • ZINC00464525

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
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2085
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0036 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.0215 0.4165 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0355 0.0919
Brugia malayi MH2 domain containing protein 0.012 0.2001 0.5174
Echinococcus granulosus geminin 0.0171 0.3161 0.3137
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0036 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2085
Loa Loa (eye worm) hypothetical protein 0.0049 0.0355 0.0919
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0036 0.0113
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0659 0.0626
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0355 0.0919
Giardia lamblia Macrophage migration inhibitory factor 0.0202 0.3866 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0659 0.1705
Schistosoma mansoni hypothetical protein 0.0171 0.3161 1
Onchocerca volvulus 0.0035 0.0036 0.5
Onchocerca volvulus 0.0035 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.4365 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2001 0.5174
Brugia malayi beta-lactamase 0.0035 0.0036 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.3866 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0036 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0.0036 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0036 0.0093
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Brugia malayi RNA binding protein 0.0062 0.0659 0.1705
Echinococcus multilocularis neuropeptide receptor A26 0.0468 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0202 0.3866 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Echinococcus granulosus neuropeptide receptor A26 0.0468 1 1
Onchocerca volvulus 0.0035 0.0036 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0468 1 1
Brugia malayi Bm-MIF-1, identical 0.0202 0.3866 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0202 0.3866 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0036 0.0093
Leishmania major hypothetical protein, conserved 0.0215 0.4165 1
Brugia malayi TAR-binding protein 0.0062 0.0659 0.1705
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0202 0.3866 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0036 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2001 0.5174
Loa Loa (eye worm) RNA binding protein 0.0062 0.0659 0.1705
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0659 0.1705
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2085
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0036 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0659 0.1705
Leishmania major macrophage migration inhibitory factor-like protein 0.0202 0.3866 0.9277
Loa Loa (eye worm) beta-lactamase 0.0035 0.0036 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2085
Echinococcus granulosus tar DNA binding protein 0.0062 0.0659 0.0626
Schistosoma mansoni hypothetical protein 0.0171 0.3161 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0355 0.0919
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0106 0.1676 0.4336
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0106 0.1676 0.4336
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2085
Trypanosoma cruzi hypothetical protein, conserved 0.0215 0.4165 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0036 0.5
Echinococcus multilocularis geminin 0.0171 0.3161 0.3137
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0202 0.3866 1
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0202 0.3866 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0202 0.3866 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0215 0.4165 1
Brugia malayi beta-lactamase family protein 0.0035 0.0036 0.0093
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0036 0.0113
Leishmania major macrophage migration inhibitory factor-like protein 0.0202 0.3866 0.9277

Activities

No activities found for this compound.

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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