Detailed information for compound 705817

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.908 | Formula: C21H17ClFN5O2S
  • H donors: 2 H acceptors: 4 LogP: 4.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1nn2c(n1)scc2CCNC(=O)C(=O)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C21H17ClFN5O2S/c1-12-5-6-15(10-17(12)22)25-20(30)19(29)24-8-7-16-11-31-21-26-18(27-28(16)21)13-3-2-4-14(23)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,29)(H,25,30)
  • InChiKey: JDJBAYMDYJTLDJ-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
Brugia malayi Augmenter of liver regeneration 0.0036 0.0839 0.0787
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3061 0.2818
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.3061 0.3022
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 0.0839 0.2741
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0339 0.0284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.3061 0.3061
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0455 0.2327
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0056 0.0056
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0158 0.5478 0.532
Echinococcus multilocularis lamin 0.0028 0.055 0.1796
Echinococcus granulosus lamin dm0 0.0028 0.055 0.1796
Echinococcus granulosus Aminotransferase class III 0.0022 0.0339 0.1107
Brugia malayi MH2 domain containing protein 0.0127 0.4295 0.4263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3061 1
Mycobacterium ulcerans glutaminase 0.0277 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0839 1
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0839 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.055 0.0496
Echinococcus granulosus lamin 0.0028 0.055 0.1796
Mycobacterium tuberculosis Probable aminotransferase 0.0158 0.5478 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.055 0.055
Echinococcus multilocularis musashi 0.0028 0.055 0.1796
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3061 0.2818
Loa Loa (eye worm) hypothetical protein 0.0028 0.055 0.055
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0839 1
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.4295 0.4295
Echinococcus multilocularis lamin dm0 0.0028 0.055 0.1796
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 0.0839 0.2741
Loa Loa (eye worm) hypothetical protein 0.0027 0.053 0.053
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0339 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3061 0.2818
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0455 0.2327
Schistosoma mansoni lamin 0.0028 0.055 0.0218
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0339 0.1107
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0455 0.2327
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0158 0.5478 1
Trichomonas vaginalis glutaminase, putative 0.0277 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0455 0.2327
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0339 0.1107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3061 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.0025 0.0455 0.0455
Echinococcus granulosus intermediate filament protein 0.0028 0.055 0.1796
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3061 1
Onchocerca volvulus 0.0028 0.055 0.5
Schistosoma mansoni lamin 0.0028 0.055 0.0218
Schistosoma mansoni glutaminase 0.0277 1 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 0.0839 0.0839
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0839 1
Loa Loa (eye worm) glutaminase 2 0.0277 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0339 0.1107
Schistosoma mansoni intermediate filament proteins 0.0028 0.055 0.0218
Loa Loa (eye worm) glutaminase 0.0277 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.4295 0.4295
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0839 1
Brugia malayi intermediate filament protein 0.0028 0.055 0.0496
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0839 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0839 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0158 0.5478 1
Onchocerca volvulus 0.0028 0.055 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0339 0.5
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0339 0.1107
Brugia malayi hypothetical protein 0.0016 0.0112 0.0056
Leishmania major hypothetical protein, conserved 0.0036 0.0839 1
Mycobacterium ulcerans hypothetical protein 0.0158 0.5478 0.532
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0839 1
Brugia malayi hypothetical protein 0.0025 0.0455 0.0401
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3061 1

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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