Detailed information for compound 1724265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.303 | Formula: C18H16Cl2N2OS
  • H donors: 2 H acceptors: 1 LogP: 4.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CCc1[nH]c2c(c1Sc1cc(Cl)cc(c1)Cl)ccc(c2)C
  • InChi: 1S/C18H16Cl2N2OS/c1-10-2-3-14-16(6-10)22-15(4-5-17(21)23)18(14)24-13-8-11(19)7-12(20)9-13/h2-3,6-9,22H,4-5H2,1H3,(H2,21,23)
  • InChiKey: BUCMJAVKKILLJB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni hypothetical protein 0.0019 0.0347 0.0347
Schistosoma mansoni aldehyde dehydrogenase 0.0074 0.317 0.317
Schistosoma mansoni uracil-DNA glycosylase 0.0075 0.3252 0.3252
Schistosoma mansoni hypothetical protein 0.0019 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0041 0.1497 0.4603
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0347 0.0347
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0074 0.317 0.317
Echinococcus multilocularis GPCR, family 2 0.0019 0.0347 0.0347
Entamoeba histolytica hypothetical protein, conserved 0.0075 0.3252 1
Schistosoma mansoni hypothetical protein 0.0041 0.1497 0.1497
Mycobacterium ulcerans hypothetical protein 0.0075 0.3252 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2488 0.7649
Trypanosoma brucei uracil-DNA glycosylase, putative 0.0075 0.3252 0.5
Trypanosoma cruzi uracil-DNA glycosylase 0.0075 0.3252 0.5
Schistosoma mansoni G/t mismatch-specific thymine DNA glycosylase 0.0075 0.3252 0.3252
Trichomonas vaginalis uracil DNA glycosylase, putative 0.0075 0.3252 0.5
Toxoplasma gondii uracil-DNA glycosylase 0.0075 0.3252 1
Schistosoma mansoni hypothetical protein 0.0019 0.0347 0.0347
Mycobacterium leprae conserved hypothetical protein 0.0075 0.3252 0.5
Entamoeba histolytica uracil-DNA glycosylase, putative 0.0075 0.3252 1
Wolbachia endosymbiont of Brugia malayi uracil-DNA glycosylase 0.0075 0.3252 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0347 0.0347
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0347 0.1067
Schistosoma mansoni hypothetical protein 0.0044 0.1616 0.1616
Chlamydia trachomatis uracil DNA glycosylase 0.0075 0.3252 0.5
Treponema pallidum DNA polymerase 0.0075 0.3252 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0347 0.0347
Leishmania major uracil-DNA-glycosylase, putative 0.0075 0.3252 1
Mycobacterium ulcerans glycosylase 0.0075 0.3252 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0044 0.1616 0.1616
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1497 0.4603
Loa Loa (eye worm) hypothetical protein 0.0019 0.0347 0.1067
Brugia malayi Uracil-DNA glycosylase 0.0075 0.3252 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2488 0.7649
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0347 0.1067
Brugia malayi hypothetical protein 0.0044 0.1616 0.4969
Echinococcus granulosus GPCR family 2 0.0019 0.0347 0.0347
Schistosoma mansoni aldehyde dehydrogenase 0.0074 0.317 0.317
Schistosoma mansoni transcription factor LCR-F1 0.0044 0.1616 0.1616
Plasmodium vivax uracil-DNA glycosylase, putative 0.0075 0.3252 0.5
Mycobacterium tuberculosis Probable uracil DNA glycosylase, UdgB 0.0075 0.3252 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0074 0.317 0.317
Mycobacterium leprae PROBABLE URACIL-DNA GLYCOSYLASE UNG (UDG) 0.0075 0.3252 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0347 0.0347
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2488 0.7649
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0347 0.0347
Echinococcus multilocularis uracil DNA glycosylase 0.0075 0.3252 0.3252
Loa Loa (eye worm) uracil-DNA glycosylase 0.0075 0.3252 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0347 0.1067
Plasmodium falciparum uracil-DNA glycosylase 0.0075 0.3252 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2488 0.7649
Mycobacterium ulcerans uracil-DNA glycosylase 0.0075 0.3252 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0044 0.1616 0.1616
Echinococcus granulosus uracil DNA glycosylase 0.0075 0.3252 0.3252

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 244 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.