Detailed information for compound 652613

Basic information

Technical information
  • TDR Targets ID: 652613
  • Name: (3,4-dichlorophenyl)-[4-(2-fluoro-4-nitrophen yl)piperazin-1-yl]methanone
  • MW: 398.216 | Formula: C17H14Cl2FN3O3
  • H donors: 0 H acceptors: 3 LogP: 4.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
  • InChi: 1S/C17H14Cl2FN3O3/c18-13-3-1-11(9-14(13)19)17(24)22-7-5-21(6-8-22)16-4-2-12(23(25)26)10-15(16)20/h1-4,9-10H,5-8H2
  • InChiKey: YXNDYSSFMZGRMF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3,4-dichlorophenyl)-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]methanone
  • (3,4-dichlorophenyl)-[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]methanone
  • A2020/0084747
  • ZINC04498508
  • Oprea1_309618

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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0006 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0.052 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0006 0.0122
Trypanosoma brucei cytochrome P450, putative 0.0026 0.2696 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.8374 0.8374
Toxoplasma gondii cytochrome p450 superfamily protein 0.0017 0.052 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0.052 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.2696 1
Loa Loa (eye worm) CYP4Cod1 0.0026 0.2696 0.2696
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0006 0.0006
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.052 0.1909
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0122
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0.052 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0.052 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0.052 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0.052 1
Leishmania major cytochrome p450-like protein 0.0026 0.2696 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0017 0.052 0.1909
Loa Loa (eye worm) hypothetical protein 0.0048 0.8374 0.8374
Brugia malayi Cytochrome P450 family protein 0.0026 0.2696 0.2696
Echinococcus multilocularis 0.0017 0.052 1
Schistosoma mansoni hypothetical protein 0.0017 0.052 0.1156
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.2696 1
Schistosoma mansoni cytochrome P450 0.0017 0.052 0.1156
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0122
Brugia malayi cytochrome P450 0.0017 0.052 0.052
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.2696 0.2696
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0122
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.8374 0.8374
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.2696 0.2696
Schistosoma mansoni hypothetical protein 0.0033 0.4498 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.052 0.1909
Leishmania major cytochrome p450-like protein 0.0017 0.052 0.1909
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0.052 1
Mycobacterium leprae putative cytochrome p450 0.0017 0.052 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0017 0.052 0.1909
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0.052 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4498 0.4498
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0.052 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.2696 0.2696
Loa Loa (eye worm) cytochrome P450 0.0017 0.052 0.052
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0.052 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0017 0.052 0.1909
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0.052 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0006 0.0122
Brugia malayi Cytochrome P450 family protein 0.0017 0.052 0.052
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0.052 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0.052 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0006 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0.052 1
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.052 1
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.052 0.5
Brugia malayi isocitrate dehydrogenase 0.0015 0.0006 0.0006
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0006 0.0014
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.4498 0.4498
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0.052 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0.052 1
Leishmania major cytochrome p450-like protein 0.0017 0.052 0.1909
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.8374 0.8374
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.2696 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0.052 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0.052 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0006 0.0122
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0006 0.0006
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0.052 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0.052 1

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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