Detailed information for compound 1023089

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.237 | Formula: C12H15Cl2N3O2S
  • H donors: 1 H acceptors: 2 LogP: 1.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCn1sc(=O)n(c1=O)Cc1ccc(cc1)CN.Cl
  • InChi: 1S/C12H14ClN3O2S.ClH/c13-5-6-16-11(17)15(12(18)19-16)8-10-3-1-9(7-14)2-4-10;/h1-4H,5-8,14H2;1H
  • InChiKey: QMHNSNCLXLFWER-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
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1377 0.1884
Plasmodium falciparum heat shock protein 90 0.0031 0.0596 0.4329
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.4319 0.8734
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Schistosoma mansoni intermediate filament proteins 0.0026 0.0338 0.0338
Brugia malayi heat shock protein 90 0.0031 0.0596 0.0596
Trypanosoma brucei heat shock protein 90, putative 0.0031 0.0596 0.1304
Brugia malayi Ets-domain containing protein 0.0075 0.2677 0.2677
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.4319 0.8734
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.2158 1
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Echinococcus multilocularis heat shock protein 0.0031 0.0596 0.0815
Loa Loa (eye worm) hypothetical protein 0.0061 0.2041 0.2041
Brugia malayi hypothetical protein 0.0077 0.2809 0.2809
Echinococcus multilocularis tar DNA binding protein 0.0139 0.5805 0.7941
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0666 0.0911
Loa Loa (eye worm) hypothetical protein 0.0033 0.0677 0.0677
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.3637 0.4976
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Echinococcus granulosus geminin 0.0171 0.731 1
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0834 0.0834
Loa Loa (eye worm) hypothetical protein 0.0026 0.0315 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0139 0.5805 0.5805
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0287 0.4732
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.2198 0.3008
Loa Loa (eye worm) hypothetical protein 0.0027 0.0362 0.0362
Echinococcus granulosus endoplasmin 0.0025 0.0287 0.0393
Brugia malayi TAR-binding protein 0.0139 0.5805 0.5805
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.4319 0.8734
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0834 0.1141
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.2198 0.3008
Loa Loa (eye worm) glutathione reductase 0.0048 0.1377 0.1377
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.3637 0.4976
Schistosoma mansoni transient receptor potential channel 0.0065 0.2198 0.2198
Schistosoma mansoni endoplasmin 0.0031 0.0596 0.0596
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0666 0.0666
Brugia malayi hypothetical protein 0.0027 0.0362 0.0362
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.2158 0.706
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0862 0.1179
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0064 0.2156 0.2156
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.5805 0.5805
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Echinococcus granulosus GA binding protein alpha chain 0.0075 0.2677 0.3663
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.2158 0.2953
Echinococcus granulosus heat shock protein 0.0031 0.0596 0.0815
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0596 0.165
Echinococcus granulosus lamin dm0 0.0026 0.0338 0.0462
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.1377 0.2361
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.0287 0.0393
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0025 0.0287 0.5
Schistosoma mansoni tar DNA-binding protein 0.0139 0.5805 0.5805
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0596 1
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1377 0.1377
Echinococcus granulosus intermediate filament protein 0.0026 0.0338 0.0462
Brugia malayi glutathione reductase 0.0048 0.1377 0.1377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1475 0.1475
Echinococcus multilocularis GA binding protein alpha chain 0.0075 0.2677 0.3663
Schistosoma mansoni ets-related 0.0226 1 1
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Echinococcus granulosus tar DNA binding protein 0.0139 0.5805 0.7941
Schistosoma mansoni heat shock protein 0.0031 0.0596 0.0596
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1475 0.2018
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1377 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.5805 0.5805
Brugia malayi intermediate filament protein 0.0026 0.0338 0.0338
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0338 0.0338
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0362 0.0397
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0596 0.165
Echinococcus multilocularis transient receptor potential gamma protein 0.0098 0.3794 0.5191
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.4903 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.4579 0.6265
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0287 0.4732
Echinococcus granulosus heat shock protein 90 0.0031 0.0596 0.0815
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2809 0.3843
Toxoplasma gondii heat shock protein 90, putative 0.0031 0.0596 0.2308
Mycobacterium ulcerans heat shock protein 90 0.0025 0.0287 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.0338 0.0462
Treponema pallidum heat shock protein 90 0.0025 0.0287 0.5
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Brugia malayi Ets-domain containing protein 0.0075 0.2677 0.2677
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0338 0.0338
Echinococcus granulosus GPCR family 2 0.0033 0.0666 0.0911
Echinococcus granulosus lamin 0.0026 0.0338 0.0462
Loa Loa (eye worm) TAR-binding protein 0.0139 0.5805 0.5805
Plasmodium falciparum thioredoxin reductase 0.0048 0.1377 1
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.5805 0.5805
Onchocerca volvulus 0.0159 0.676 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.409 0.409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1475 0.2018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1475 0.2018
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Schistosoma mansoni gabp alpha 0.0075 0.2677 0.2677
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0666 0.0911
Echinococcus multilocularis lamin 0.0026 0.0338 0.0462
Trypanosoma cruzi Heat shock protein 83, putative 0.0031 0.0596 0.165
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0666 0.0911
Schistosoma mansoni lamin 0.0026 0.0338 0.0338
Leishmania major trypanothione reductase 0.0048 0.1377 0.5824
Entamoeba histolytica hypothetical protein 0.0077 0.2809 1
Schistosoma mansoni hypothetical protein 0.0171 0.731 0.731
Schistosoma mansoni hypothetical protein 0.0033 0.0666 0.0666
Schistosoma mansoni hypothetical protein 0.0033 0.0666 0.0666
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1377 0.5824
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Loa Loa (eye worm) fli-1 protein 0.0226 1 1
Brugia malayi RNA binding protein 0.0139 0.5805 0.5805
Schistosoma mansoni hypothetical protein 0.0077 0.2809 0.2809
Loa Loa (eye worm) hypothetical protein 0.0036 0.0834 0.0834
Schistosoma mansoni endoplasmin 0.0031 0.0596 0.0596
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Plasmodium falciparum endoplasmin, putative 0.0019 0.001 0.0075
Schistosoma mansoni lamin 0.0026 0.0338 0.0338
Trypanosoma brucei trypanothione reductase 0.0048 0.1377 0.5651
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0362 0.0397
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.4903 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1377 0.1884
Trypanosoma brucei heat shock protein 90, putative 0.0031 0.0596 0.1304
Entamoeba histolytica hypothetical protein 0.0077 0.2809 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0075 0.2677 0.2677
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2158 1
Schistosoma mansoni hypothetical protein 0.0033 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0098 0.3794 0.3794
Schistosoma mansoni lipoxygenase 0.008 0.2925 0.2925
Loa Loa (eye worm) heat shock protein 90 0.0031 0.0596 0.0596
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1475 0.2018
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0596 0.165
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.2505 0.2505
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.2158 0.2158
Plasmodium vivax glutathione reductase, putative 0.0048 0.1377 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.4579 0.6265
Loa Loa (eye worm) hypothetical protein 0.0033 0.0666 0.0666
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2809 0.3843
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.2198 0.3008
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Onchocerca volvulus 0.0026 0.0338 0.05
Schistosoma mansoni transient receptor potential channel 0.0098 0.3794 0.3794
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Brugia malayi Thioredoxin reductase 0.0048 0.1377 0.1377
Loa Loa (eye worm) endoplasmin 0.0031 0.0596 0.0596
Toxoplasma gondii heat shock protein HSP90 0.0031 0.0596 0.2308
Schistosoma mansoni tar DNA-binding protein 0.0139 0.5805 0.5805
Echinococcus multilocularis musashi 0.0026 0.0338 0.0462
Mycobacterium tuberculosis Probable reductase 0.0109 0.4319 0.8734
Plasmodium vivax endoplasmin, putative 0.0031 0.0596 0.4329
Entamoeba histolytica hypothetical protein 0.0077 0.2809 1
Schistosoma mansoni hypothetical protein 0.0071 0.2505 0.2505
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.409 0.409
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0362 0.2627
Schistosoma mansoni transient receptor potential channel 0.0065 0.2198 0.2198
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.4319 0.8734
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2158 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0666 0.0911
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.4903 1
Echinococcus multilocularis geminin 0.0171 0.731 1
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.2158 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.2158 0.2158
Loa Loa (eye worm) hypothetical protein 0.0159 0.676 0.676
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0362 0.2627
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0362 0.2627
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Loa Loa (eye worm) hypothetical protein 0.0026 0.0338 0.0338
Brugia malayi Endoplasmin precursor 0.0031 0.0596 0.0596
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.4903 1
Plasmodium falciparum glutathione reductase 0.0048 0.1377 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.2505 0.2505
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.4319 0.8734
Schistosoma mansoni lipoxygenase 0.0114 0.4579 0.4579
Echinococcus granulosus heat shock protein 90 0.0025 0.0287 0.0393
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.2198 0.3008
Schistosoma mansoni hypothetical protein 0.0033 0.0666 0.0666
Trypanosoma brucei Heat shock protein 83, putative 0.0031 0.0596 0.1304
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.409 0.409
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1475 0.1475
Brugia malayi hypothetical protein 0.0159 0.676 0.676
Giardia lamblia Heat shock protein HSP 90-alpha 0.0031 0.0596 1
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2809 0.2809
Onchocerca volvulus 0.0026 0.0338 0.05
Echinococcus multilocularis GPCR, family 2 0.0033 0.0666 0.0911
Loa Loa (eye worm) RNA binding protein 0.0139 0.5805 0.5805
Schistosoma mansoni heat shock protein 0.0031 0.0596 0.0596
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.4319 0.8734
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Schistosoma mansoni tar DNA-binding protein 0.0139 0.5805 0.5805
Toxoplasma gondii thioredoxin reductase 0.0048 0.1377 1
Trypanosoma brucei heat shock protein, putative 0.0031 0.0596 0.1304
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.2158 0.2158
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.2158 0.2953
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Entamoeba histolytica hypothetical protein 0.0077 0.2809 1
Leishmania major hypothetical protein, conserved 0.0027 0.0362 0.0397
Echinococcus granulosus transient receptor potential gamma protein 0.0098 0.3794 0.5191
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0666 0.0666
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.409 0.409
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0338 0.0338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1475 0.1475
Echinococcus multilocularis heat shock protein 90 0.0025 0.0287 0.0393
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0287 0.4732
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1475 0.1475
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0596 0.165
Schistosoma mansoni transient receptor potential channel 4 0.0098 0.3794 0.3794
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0834 0.1141
Echinococcus multilocularis heat shock protein 90 0.0031 0.0596 0.0815
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0862 0.1179
Leishmania major heat shock protein 83-1 0.0031 0.0596 0.165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1475 0.1475
Schistosoma mansoni hypothetical protein 0.0171 0.731 0.731
Plasmodium vivax heat shock protein 86, putative 0.0031 0.0596 0.4329
Echinococcus multilocularis endoplasmin 0.0025 0.0287 0.0393

Activities

Activity type Activity value Assay description Source Reference
LD50 (functional) = 3.01 uM Cytotoxicity against human MV411 cells after 24 hrs by Annexin V-Fluorescein isothiocyanate and 7-aminoactinomycin D staining ChEMBL. 21757349

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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