Detailed information for compound 1467131

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.189 | Formula: C12H18Cl2N2O3
  • H donors: 1 H acceptors: 1 LogP: 1.73 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCOCCOCC[n+]1ccc(cc1)/C=N/O.[Cl-]
  • InChi: 1S/C12H17ClN2O3.ClH/c13-3-7-17-9-10-18-8-6-15-4-1-12(2-5-15)11-14-16;/h1-2,4-5,11H,3,6-10H2;1H
  • InChiKey: ZXSWXLUTNPNHND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Loa Loa (eye worm) hypothetical protein 0.0493 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0045 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0045 0.0555 0.0555
Brugia malayi mbt repeat family protein 0.0048 0.061 0.061
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0328 0.6521 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.3651 0.3651
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0493 1 1
Echinococcus multilocularis serotonin transporter 0.0493 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0283 0.5569 0.5569
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent transporter 0.0084 0.1368 0.1368
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Onchocerca volvulus 0.0084 0.1368 0.0861
Schistosoma mansoni hypothetical protein 0.0294 0.5804 0.5804
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0084 0.1368 0.1368
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0328 0.6521 1
Onchocerca volvulus 0.0084 0.1368 0.0861
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Toxoplasma gondii hypothetical protein 0.0084 0.1368 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2123 0.2123
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0045 0.0555 0.4058
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0328 0.6521 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.061 0.061
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0328 0.6521 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0655 0.0655
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0555 0.0851
Plasmodium falciparum amino acid transporter, putative 0.0084 0.1368 0.2098
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0084 0.1368 0.1368
Schistosoma mansoni fk506 binding protein 0.0045 0.0555 0.0555
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0555 0.0851
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.061 0.061
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0749 0.0749
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.0555 0.0851
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0045 0.0555 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent transporter 0.0084 0.1368 0.1368
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0328 0.6521 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0045 0.0555 0.4058
Brugia malayi hypothetical protein 0.0084 0.1368 0.1368
Echinococcus multilocularis sodium and chloride dependent glycine 0.0084 0.1368 0.1368
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0283 0.5569 0.5569
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0045 0.0555 0.0851
Toxoplasma gondii hypothetical protein 0.0084 0.1368 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0328 0.6521 0.6521
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0045 0.0555 1
Loa Loa (eye worm) serotonin transporter b 0.0493 1 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.3651 0.3651
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.1368 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Trichomonas vaginalis fk506-binding protein, putative 0.0045 0.0555 0.0851
Echinococcus granulosus sodium and chloride dependent glycine 0.0084 0.1368 0.1368
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0328 0.6521 0.6521
Onchocerca volvulus 0.0493 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0328 0.6521 0.6521
Schistosoma mansoni sodium-dependent amino acid transporter 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0084 0.1368 0.1368
Loa Loa (eye worm) hypothetical protein 0.0493 1 1
Trichomonas vaginalis immunophilin, putative 0.0328 0.6521 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.061 0.061
Loa Loa (eye worm) MBCTL1 0.0054 0.0749 0.0749
Schistosoma mansoni immunophilin 0.0328 0.6521 0.6521
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0045 0.0555 0.0555
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0045 0.0555 0.0851
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0045 0.0555 0.0555
Brugia malayi MH2 domain containing protein 0.0119 0.2123 0.2123
Schistosoma mansoni immunophilin 0.0283 0.5569 0.5569
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.061 0.0058
Echinococcus granulosus FK506 binding protein 2 0.0045 0.0555 0.0555
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0328 0.6521 1
Loa Loa (eye worm) FKBP5 protein 0.0328 0.6521 0.6521
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Mycobacterium ulcerans hypothetical protein 0.0045 0.0555 0.0851
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0045 0.0555 0.5
Plasmodium falciparum transporter, putative 0.0084 0.1368 0.2098
Echinococcus granulosus sodium and chloride dependent glycine 0.0084 0.1368 0.1368
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0084 0.1368 0.1368
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0749 0.0749
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.061 0.061
Schistosoma mansoni hypothetical protein 0.0045 0.0555 0.0555
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0045 0.0555 0.0851
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0655 0.0655
Leishmania major peptidylprolyl isomerase-like protein 0.0328 0.6521 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0045 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0328 0.6521 1
Brugia malayi mbt repeat family protein 0.0048 0.061 0.061
Echinococcus granulosus serotonin transporter 0.0493 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.061 0.061
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0328 0.6521 0.6521
Leishmania major fk506-binding protein 1-like protein 0.0328 0.6521 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0283 0.5569 0.5569
Onchocerca volvulus 0.0048 0.061 0.0058
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0045 0.0555 0.0555
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0655 0.0655
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.061 0.061
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0749 0.0749
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0328 0.6521 0.6521
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0045 0.0555 0.0851
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0045 0.0555 0.0555
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0328 0.6521 1
Schistosoma mansoni immunophilin 0.0328 0.6521 0.6521
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Trichomonas vaginalis fk506 binding protein, putative 0.0045 0.0555 0.0851
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0328 0.6521 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.1368 0.1368
Loa Loa (eye worm) hypothetical protein 0.005 0.0655 0.0655
Echinococcus multilocularis sodium and chloride dependent glycine 0.0084 0.1368 0.1368
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0045 0.0555 0.4058
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0328 0.6521 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0084 0.1368 0.1368
Schistosoma mansoni sodium/chloride dependent transporter 0.0493 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.1368 0.1368
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0045 0.0555 0.0851
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2123 0.2123
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0084 0.1368 0.1368
Giardia lamblia Hypothetical protein 0.0045 0.0555 0.0851
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0328 0.6521 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0328 0.6521 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0749 0.0749
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0045 0.0555 0.0851
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0084 0.1368 0.1368
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0328 0.6521 0.6521
Loa Loa (eye worm) norepinephrine transporter 0.0493 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0749 0.0749
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0084 0.1368 0.1368
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0084 0.1368 0.1368
Schistosoma mansoni hypothetical protein 0.0034 0.0322 0.0322
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Onchocerca volvulus 0.0084 0.1368 0.0861
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0045 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Loa Loa (eye worm) solute carrier family 6 member 4 0.0493 1 1
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0045 0.0555 0.0851
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0045 0.0555 0.0555
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0328 0.6521 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0322 0.0322
Trichomonas vaginalis fk506-binding protein, putative 0.0045 0.0555 0.0851
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0328 0.6521 0.6521
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0045 0.0555 0.4058
Loa Loa (eye worm) hypothetical protein 0.0034 0.0322 0.0322
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.061 0.061
Loa Loa (eye worm) hypothetical protein 0.0084 0.1368 0.1368
Plasmodium vivax hypothetical protein, conserved 0.0084 0.1368 0.2098
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0084 0.1368 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0084 0.1368 0.1368
Trichomonas vaginalis fk506-binding protein, putative 0.0328 0.6521 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0045 0.0555 0.0555
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0045 0.0555 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.061 0.061
Echinococcus multilocularis 0.0045 0.0555 0.0555
Treponema pallidum sodium- and chloride- dependent transporter 0.0493 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0328 0.6521 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0328 0.6521 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0328 0.6521 0.6521
Echinococcus multilocularis fk506 binding protein 0.0328 0.6521 0.6521
Loa Loa (eye worm) hypothetical protein 0.0493 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0045 0.0555 0.0851
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.061 0.061
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0749 0.0749
Plasmodium vivax amine transporter, putative 0.0084 0.1368 0.2098

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) < 5 % Reactivation of tabun-inhibited human AChE assessed as active enzyme at 10'-5 M after 30 mins by Ellman method ChEMBL. 21112787

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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