Detailed information for compound 1727224

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.235 | Formula: C16H11Cl2NO2S
  • H donors: 2 H acceptors: 2 LogP: 5.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)[nH]c(c2Sc1cc(Cl)cc(c1)Cl)C(=O)O
  • InChi: 1S/C16H11Cl2NO2S/c1-8-2-3-12-13(4-8)19-14(16(20)21)15(12)22-11-6-9(17)5-10(18)7-11/h2-7,19H,1H3,(H,20,21)
  • InChiKey: ZFDYJSAPGBAVRK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Vaccinia virus (strain Copenhagen) (VACV) Uracil-DNA glycosylase No references

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
Mycobacterium tuberculosis Probable reductase 0.0086 0.6211 0.8342
Loa Loa (eye worm) hypothetical protein 0.005 0.2264 0.4486
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0943 0.1868
Brugia malayi glutathione reductase 0.0038 0.0943 0.1308
Mycobacterium ulcerans glycosylase 0.0075 0.5047 0.5
Plasmodium falciparum glutathione reductase 0.0038 0.0943 0.1868
Trichomonas vaginalis uracil DNA glycosylase, putative 0.0075 0.5047 0.5
Echinococcus multilocularis jumonji domain containing protein 0.004 0.1241 0.1721
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0943 0.1868
Brugia malayi Uracil-DNA glycosylase 0.0075 0.5047 0.6999
Toxoplasma gondii uracil-DNA glycosylase 0.0075 0.5047 1
Schistosoma mansoni jumonji domain containing protein 0.0076 0.5077 0.5077
Treponema pallidum DNA polymerase 0.0075 0.5047 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.7211 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.7211 1
Echinococcus granulosus uracil DNA glycosylase 0.0075 0.5047 0.6999
Entamoeba histolytica hypothetical protein, conserved 0.0075 0.5047 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.6211 0.8342
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.6211 0.8342
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.7258 1
Brugia malayi Thioredoxin reductase 0.0038 0.0943 0.1308
Brugia malayi jmjC domain containing protein 0.0095 0.7211 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.6211 0.8342
Plasmodium falciparum thioredoxin reductase 0.0038 0.0943 0.1868
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0667 0.1321
Trypanosoma brucei uracil-DNA glycosylase, putative 0.0075 0.5047 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.6211 0.8342
Schistosoma mansoni uracil-DNA glycosylase 0.0075 0.5047 0.5047
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.3375 0.6687
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0667 0.0667
Plasmodium vivax glutathione reductase, putative 0.0038 0.0943 0.1868
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0667 0.0925
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0667 0.0667
Chlamydia trachomatis uracil DNA glycosylase 0.0075 0.5047 0.5
Leishmania major uracil-DNA-glycosylase, putative 0.0075 0.5047 1
Loa Loa (eye worm) glutathione reductase 0.0038 0.0943 0.1868
Entamoeba histolytica uracil-DNA glycosylase, putative 0.0075 0.5047 0.5
Echinococcus multilocularis uracil DNA glycosylase 0.0075 0.5047 0.6999
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.7258 1
Wolbachia endosymbiont of Brugia malayi uracil-DNA glycosylase 0.0075 0.5047 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.6211 0.8342
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.7258 1
Plasmodium vivax uracil-DNA glycosylase, putative 0.0075 0.5047 1
Plasmodium falciparum uracil-DNA glycosylase 0.0075 0.5047 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0998 0.1384
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0998 0.1384
Brugia malayi jmjC domain containing protein 0.0035 0.0667 0.0925
Trypanosoma cruzi uracil-DNA glycosylase 0.0075 0.5047 1
Mycobacterium tuberculosis Probable uracil DNA glycosylase, UdgB 0.0075 0.5047 0.6499
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.6211 0.5266
Schistosoma mansoni G/t mismatch-specific thymine DNA glycosylase 0.0075 0.5047 0.5047
Mycobacterium ulcerans uracil-DNA glycosylase 0.0075 0.5047 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0667 0.0925
Loa Loa (eye worm) uracil-DNA glycosylase 0.0075 0.5047 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.1241 0.1721
Mycobacterium ulcerans hypothetical protein 0.0075 0.5047 0.5
Toxoplasma gondii thioredoxin reductase 0.0038 0.0943 0.1868
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.7258 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7000 nM Viral Plaque Reduction Assay BINDINGDB. No reference

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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