Detailed information for compound 1934711

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.809 | Formula: C15H15ClN2O3S
  • H donors: 2 H acceptors: 2 LogP: 4.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(N)sc(c1C)C(=O)Nc1ccccc1Cl
  • InChi: 1S/C15H15ClN2O3S/c1-3-21-15(20)11-8(2)12(22-13(11)17)14(19)18-10-7-5-4-6-9(10)16/h4-7H,3,17H2,1-2H3,(H,18,19)
  • InChiKey: ITXFMDLPXNTRBT-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
Onchocerca volvulus 0.0014 0.1162 0.5
Brugia malayi intermediate filament protein 0.0014 0.1162 0.4449
Loa Loa (eye worm) hypothetical protein 0.0014 0.1162 0.4449
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.001 0.058 0.0784
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0056 0.6936 0.8837
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0.1697 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0019 0.187 0.7159
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0008 0.0407 0.1557
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0062 0.7795 1
Plasmodium vivax thioredoxin reductase, putative 0.0024 0.2612 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0062 0.7795 1
Echinococcus multilocularis lamin dm0 0.0014 0.1162 0.4449
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.2112 0.2112
Entamoeba histolytica exodeoxyribonuclease III, putative 0.001 0.058 0.5
Toxoplasma gondii exonuclease III APE 0.001 0.058 0.0784
Schistosoma mansoni lamin 0.0014 0.1162 0.1162
Toxoplasma gondii thioredoxin reductase 0.0024 0.2612 1
Echinococcus multilocularis musashi 0.0014 0.1162 0.4449
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0019 0.187 0.7159
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.001 0.058 0.2219
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0006 0.0096 0.0369
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0056 0.6936 0.8837
Loa Loa (eye worm) hypothetical protein 0.0007 0.0166 0.0636
Loa Loa (eye worm) glutathione reductase 0.0024 0.2612 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0019 0.187 0.7159
Brugia malayi cytoplasmic intermediate filament protein 0.0007 0.0268 0.1027
Trichomonas vaginalis ap endonuclease, putative 0.001 0.058 0.134
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.001 0.058 0.2219
Mycobacterium tuberculosis Probable reductase 0.0056 0.6936 0.8837
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.2112 0.2112
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0008 0.0407 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.001 0.058 0.2219
Onchocerca volvulus 0.0014 0.1162 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0008 0.0407 0.0407
Echinococcus granulosus lamin 0.0014 0.1162 0.4449
Loa Loa (eye worm) thioredoxin reductase 0.0024 0.2612 1
Schistosoma mansoni lamin 0.0014 0.1162 0.1162
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0056 0.6936 0.8837
Loa Loa (eye worm) hypothetical protein 0.0014 0.1127 0.4314
Brugia malayi Intermediate filament tail domain containing protein 0.0014 0.1162 0.4449
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.001 0.058 0.0784
Schistosoma mansoni intermediate filament proteins 0.0014 0.1162 0.1162
Plasmodium falciparum thioredoxin reductase 0.0024 0.2612 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0062 0.7795 1
Leishmania major trypanothione reductase 0.0024 0.2612 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0024 0.2612 1
Brugia malayi glutathione reductase 0.0024 0.2612 1
Brugia malayi Thioredoxin reductase 0.0024 0.2612 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.001 0.058 1
Loa Loa (eye worm) intermediate filament protein 0.0014 0.1162 0.4449
Schistosoma mansoni ap endonuclease 0.001 0.058 0.058
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0056 0.6936 0.8837
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.001 0.058 1
Plasmodium falciparum glutathione reductase 0.0024 0.2612 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0008 0.0407 0.1557
Loa Loa (eye worm) hypothetical protein 0.0006 0.0131 0.0501
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0.1697 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.001 0.058 0.0784
Trypanosoma cruzi trypanothione reductase, putative 0.0024 0.2612 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0024 0.2612 0.2985
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0006 0.0096 0.0369
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0007 0.0166 0.0636
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0007 0.0268 0.1027
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.001 0.058 0.0784
Brugia malayi exodeoxyribonuclease III family protein 0.001 0.058 0.2219
Echinococcus multilocularis lamin 0.0014 0.1162 0.4449
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0007 0.0166 0.0636
Plasmodium vivax glutathione reductase, putative 0.0024 0.2612 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.001 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0131 0.0501
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0008 0.0407 0.1557
Echinococcus granulosus intermediate filament protein 0.0014 0.1162 0.4449
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.001 0.058 0.0784
Trypanosoma brucei trypanothione reductase 0.0024 0.2612 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0062 0.7795 1
Trichomonas vaginalis ap endonuclease, putative 0.001 0.058 0.134
Mycobacterium tuberculosis Probable dehydrogenase 0.0056 0.6936 0.8837
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.001 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1522 0.5828
Echinococcus granulosus lamin dm0 0.0014 0.1162 0.4449
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.001 0.058 0.0234
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.001 0.058 0.0784
Schistosoma mansoni ap endonuclease 0.001 0.058 0.058
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0014 0.1162 0.4449
Echinococcus multilocularis thioredoxin glutathione reductase 0.0024 0.2612 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0019 0.187 0.7159

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = -15.31 % Inhibition of SET7 (unknown origin) at 100 uM after 60 mins by AlphaLISA method relative to control ChEMBL. 26390175

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

1 literature reference was collected for this gene.

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