Detailed information for compound 1612290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.361 | Formula: C19H26Cl2N7O2+
  • H donors: 4 H acceptors: 4 LogP: 2.22 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NCCC[N+](CCNC(=O)c1nc(Cl)c(nc1N)N)(C)C
  • InChi: 1S/C19H25Cl2N7O2/c1-28(2,10-3-8-24-18(29)12-4-6-13(20)7-5-12)11-9-25-19(30)14-16(22)27-17(23)15(21)26-14/h4-7H,3,8-11H2,1-2H3,(H5-,22,23,24,25,27,29,30)/p+1
  • InChiKey: OHDJHKYHWLEMNY-UHFFFAOYSA-O  

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
Loa Loa (eye worm) hypothetical protein 0.0152 0.2714 0.2714
Brugia malayi Metabotropic glutamate receptor precursor. 0.0119 0.1842 0.1842
Trypanosoma cruzi WLM domain containing protein, putative 0.0152 0.2714 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.2714 0.2714
Brugia malayi metabotropic glutamate receptor type 2 0.0058 0.0227 0.0227
Echinococcus multilocularis zinc finger protein Ran binding 0.0152 0.2714 0.1595
Schistosoma mansoni fusion 0.0152 0.2714 0.2545
Loa Loa (eye worm) glutamate receptor 0.0119 0.1842 0.1842
Trypanosoma brucei hypothetical protein, conserved 0.0152 0.2714 0.5
Leishmania major hypothetical protein, conserved 0.0152 0.2714 0.5
Leishmania major hypothetical protein, conserved 0.0152 0.2714 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0146 0.257 0.143
Schistosoma mansoni hypothetical protein 0.0427 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.2714 0.2714
Chlamydia trachomatis SWIB complex protein 0.0427 1 0.5
Loa Loa (eye worm) brahma associated protein 0.0427 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.2714 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0108 0.1546 0.1546
Schistosoma mansoni hypothetical protein 0.0168 0.3142 0.2983
Schistosoma mansoni hypothetical protein 0.0168 0.3142 0.2983
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.2714 0.2714
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0152 0.2714 0.1595
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0152 0.2714 0.5
Leishmania major hypothetical protein, conserved 0.0152 0.2714 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0152 0.2714 0.1595
Schistosoma mansoni brg-1 associated factor 0.0427 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0427 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.2714 0.2714
Brugia malayi SWIB/MDM2 domain containing protein 0.0427 1 1
Schistosoma mansoni zinc finger protein 0.0152 0.2714 0.2545
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0152 0.2714 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 0.257 0.257
Trichomonas vaginalis conserved hypothetical protein 0.0427 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.01 0.133 0.1129
Echinococcus multilocularis ring and YY1 binding protein 0.0152 0.2714 0.1595
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0427 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.2714 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0427 1 1
Schistosoma mansoni hypothetical protein 0.0427 1 1
Leishmania major hypothetical protein, conserved 0.0152 0.2714 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0135 0.2274 0.2095
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0152 0.2714 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0152 0.2714 0.1595
Schistosoma mansoni hypothetical protein 0.0427 1 1
Schistosoma mansoni RNA binding protein 0.0152 0.2714 0.2545
Brugia malayi YY1-associated factor 2 0.0152 0.2714 0.2714
Trypanosoma brucei hypothetical protein, conserved 0.0152 0.2714 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.2714 0.2545
Trypanosoma cruzi WLM domain containing protein, putative 0.0152 0.2714 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0427 1 1
Echinococcus granulosus geminin 0.0168 0.3142 0.2089
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.2714 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.2714 0.2714
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0152 0.2714 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0427 1 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0152 0.2714 0.1595
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0152 0.2714 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0427 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0427 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0427 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0427 1 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0152 0.2714 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0146 0.257 0.143
Echinococcus multilocularis geminin 0.0168 0.3142 0.2089
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0152 0.2714 0.1595
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0427 1 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0152 0.2714 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.2714 0.2714
Loa Loa (eye worm) hypothetical protein 0.0152 0.2714 0.2714
Schistosoma mansoni TRABID protein (C64 family) 0.0152 0.2714 0.2545
Onchocerca volvulus 0.0427 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.2714 0.2714
Echinococcus granulosus ring and YY1 binding protein 0.0152 0.2714 0.1595
Plasmodium vivax hypothetical protein, conserved 0.0427 1 0.5
Brugia malayi brahma associated protein 60 kDa 0.0427 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 1 1
Leishmania major hypothetical protein, conserved 0.0152 0.2714 0.5

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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