Detailed information for compound 1556254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.257 | Formula: C21H17Cl4N3S
  • H donors: 2 H acceptors: 0 LogP: 5.04 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)/C=C/1\CN(C)CC2=C1NC(=S)NC2c1ccc(cc1Cl)Cl
  • InChi: 1S/C21H17Cl4N3S/c1-28-9-12(6-11-2-3-13(22)7-17(11)24)19-16(10-28)20(27-21(29)26-19)15-5-4-14(23)8-18(15)25/h2-8,20H,9-10H2,1H3,(H2,26,27,29)/b12-6+
  • InChiKey: ZGPCNWFHXVIANT-WUXMJOGZSA-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
Schistosoma mansoni BC026374 protein (S09 family) 0.0129 0.1594 0.1594
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.087 0.0865
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0376 0.2361
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0507 0.0507
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0507 0.0503
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0129 0.1594 0.1594
Onchocerca volvulus 0.0129 0.1594 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0376 0.2361
Schistosoma mansoni alpha glucosidase 0.0037 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0765 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0765 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0129 0.1594 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0028 0.0028
Echinococcus multilocularis ets variant gene 4 0.0011 0.0028 0.0028
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0129 0.1594 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0376 0.2361
Echinococcus multilocularis carboxylesterase 5A 0.0765 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0129 0.1594 0.1594
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0028 0.0028
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0376 0.2361
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0068 0.0426
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0507 0.0507
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0376 1
Echinococcus granulosus protein C ets 2 0.0011 0.0028 0.0028
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0028 0.0022
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0068 0.0426
Trypanosoma brucei glucosidase, putative 0.0037 0.0376 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0129 0.1594 0.1594
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0507 0.0502
Brugia malayi transcription factor E74 isoform 0.0011 0.0028 0.0024
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0028 0.0028
Echinococcus granulosus para nitrobenzyl esterase 0.0129 0.1594 0.1594
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0376 0.2361
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0376 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0376 0.2361
Schistosoma mansoni ets 0.0011 0.0028 0.0028
Onchocerca volvulus 0.0129 0.1594 1
Brugia malayi Carboxylesterase family protein 0.0129 0.1594 0.159
Onchocerca volvulus 0.0129 0.1594 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.21 0.2096
Loa Loa (eye worm) carboxylesterase 0.0765 1 1
Loa Loa (eye worm) hypothetical protein 0.0765 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Mycobacterium tuberculosis Carboxylesterase LipT 0.0129 0.1594 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0376 0.0371
Schistosoma mansoni elf1 0.0011 0.0028 0.0028
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0028 0.0028
Onchocerca volvulus 0.0129 0.1594 1
Onchocerca volvulus 0.0097 0.1166 0.7198
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0028 0.0028
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0028 0.0022
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0376 0.2361
Echinococcus granulosus dnaJ subfamily B 0.0421 0.5447 0.5447
Schistosoma mansoni ets-related 0.0226 0.2875 0.2875
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0507 0.0507
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0376 0.0376
Schistosoma mansoni alpha-glucosidase 0.0144 0.1792 0.1792
Echinococcus granulosus neuroligin 0.0129 0.1594 0.1594
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Brugia malayi hypothetical protein 0.0129 0.1594 0.159
Echinococcus multilocularis BC026374 protein (S09 family) 0.0129 0.1594 0.1594
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.0068 0.0426
Schistosoma mansoni cpg binding protein 0.0031 0.0298 0.0298
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.21 0.2097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0507 0.0507
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0068 0.0426
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0421 0.5447 0.5447
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0028 0.0022
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.087 0.087
Echinococcus granulosus BC026374 protein S09 family 0.0129 0.1594 0.1594
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0129 0.1594 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0713 0.0713
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0765 1 1
Brugia malayi Ets-domain containing protein 0.0074 0.087 0.0866
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0376 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0068 0.0064
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0275 0.027
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0068 0.0426
Schistosoma mansoni hypothetical protein 0.0011 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0028 0.0022
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0028 0.0028
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0028 0.0028
Mycobacterium ulcerans carboxylesterase, LipT 0.0129 0.1594 1
Schistosoma mansoni gabp alpha 0.0074 0.087 0.087
Schistosoma mansoni gliotactin 0.0129 0.1594 0.1594
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0006 0.0006
Schistosoma mansoni acetylcholinesterase 0.0129 0.1594 0.1594
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0028 0.0022
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0129 0.1594 0.1594
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0068 0.0426
Echinococcus granulosus cpg binding protein 0.0031 0.0298 0.0298
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.21 0.21
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0028 0.0028
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0068 0.0426
Brugia malayi Carboxylesterase family protein 0.0129 0.1594 0.159
Echinococcus multilocularis cpg binding protein 0.0031 0.0298 0.0298
Onchocerca volvulus 0.003 0.0275 0.1359
Loa Loa (eye worm) hypothetical protein 0.0011 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.0014 0.0068 0.0062
Echinococcus multilocularis protein C ets 2 0.0011 0.0028 0.0028
Brugia malayi Carboxylesterase family protein 0.0765 1 1
Loa Loa (eye worm) carboxylesterase 0.0129 0.1594 0.1589
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.21 0.21
Schistosoma mansoni alpha-glucosidase 0.0144 0.1792 0.1792
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.21 0.21
Trichomonas vaginalis spcc417.12 protein, putative 0.0129 0.1594 1
Echinococcus granulosus acetylcholinesterase 0.0765 1 1
Schistosoma mansoni cpg binding protein 0.0031 0.0298 0.0298
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0625 1
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0028 0.0028
Echinococcus multilocularis dnaJ subfamily B 0.0421 0.5447 0.5447
Brugia malayi Carboxylesterase family protein 0.0129 0.1594 0.159
Brugia malayi Carboxylesterase family protein 0.0129 0.1594 0.159
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0376 1
Echinococcus granulosus acetylcholinesterase 0.0765 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0727 0.0722
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0028 0.0028
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0376 0.2361
Schistosoma mansoni cpg binding protein 0.003 0.0275 0.0275
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0376 0.0373
Schistosoma mansoni ets-related 0.0011 0.0028 0.0028
Onchocerca volvulus 0.0129 0.1594 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0275 0.0271
Echinococcus granulosus carboxylesterase 5A 0.0765 1 1
Brugia malayi Fli-1 protein 0.0226 0.2875 0.2872
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Loa Loa (eye worm) hypothetical protein 0.0129 0.1594 0.1589
Echinococcus multilocularis acetylcholinesterase 0.0765 1 1
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0028 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0507 0.0507
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0507 0.0507
Echinococcus multilocularis neuroligin 0.0129 0.1594 0.1594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0507 0.0507
Schistosoma mansoni neuroligin 3 (S09 family) 0.0129 0.1594 0.1594
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0028 0.0028
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0028 0.0028
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0068 0.0426
Schistosoma mansoni hypothetical protein 0.0011 0.0028 0.0028
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0028 0.0028
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0129 0.1594 0.1594
Loa Loa (eye worm) carboxylesterase 0.0129 0.1594 0.1589
Loa Loa (eye worm) fli-1 protein 0.0226 0.2875 0.2871
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0376 0.2361
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0376 0.0376
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0129 0.1594 0.1594
Brugia malayi Ets-domain containing protein 0.0074 0.087 0.0866
Echinococcus multilocularis acetylcholinesterase 0.0765 1 1
Brugia malayi Ets-domain containing protein 0.0011 0.0028 0.0024
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.087 0.087
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0 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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