Detailed information for compound 1569886

Basic information

Technical information
  • TDR Targets ID: 1569886
  • Name: ZINC01036127
  • MW: 371.798 | Formula: C17H10ClN3O3S
  • H donors: 0 H acceptors: 3 LogP: 3.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)Cn1nc2sc3c(n2c(=O)c1=O)cccc3
  • InChi: 1S/C17H10ClN3O3S/c18-11-7-5-10(6-8-11)13(22)9-20-15(23)16(24)21-12-3-1-2-4-14(12)25-17(21)19-20/h1-8H,9H2
  • InChiKey: VKJCGYFJQZDNJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-chlorophenyl)-2-oxoethyl]-2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione
  • MLS000859687
  • SMR000459066

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0147 0.0147
Loa Loa (eye worm) beta-tubulin 0.0051 0.1702 0.5562
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Entamoeba histolytica tubulin family protein 0.0051 0.1702 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0147 0.0862
Schistosoma mansoni tar DNA-binding protein 0.0076 0.306 0.306
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0147 0.0147
Trichomonas vaginalis tubulin, putative 0.0051 0.1702 1
Schistosoma mansoni ap endonuclease 0.0023 0.0147 0.0147
Leishmania major beta tubulin 0.0051 0.1702 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0147 0.5
Brugia malayi TAR-binding protein 0.0076 0.306 1
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Toxoplasma gondii beta-tubulin, putative 0.0051 0.1702 1
Trichomonas vaginalis tubulin beta chain, putative 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0051 0.1702 0.5562
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0051 0.1702 0.1702
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.306 1
Echinococcus multilocularis geminin 0.0205 1 1
Leishmania major beta tubulin 0.0051 0.1702 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0051 0.1702 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0147 0.0862
Leishmania major beta tubulin 0.0051 0.1702 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.306 1
Echinococcus granulosus Tubulin beta 2C chain 0.0051 0.1702 0.1702
Echinococcus multilocularis tar DNA binding protein 0.0076 0.306 0.306
Echinococcus granulosus Tubulin beta 2C chain 0.0051 0.1702 0.1702
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Echinococcus granulosus Tubulin beta 2C chain 0.0051 0.1702 0.1702
Trypanosoma brucei beta tubulin 0.0051 0.1702 1
Trypanosoma brucei beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.306 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0051 0.1702 0.1702
Leishmania major beta tubulin 0.0051 0.1702 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0147 0.0862
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0147 0.0862
Trypanosoma brucei beta tubulin 0.0051 0.1702 1
Plasmodium falciparum tubulin beta chain 0.0051 0.1702 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.306 0.306
Schistosoma mansoni tar DNA-binding protein 0.0076 0.306 0.306
Echinococcus granulosus tubulin beta 1 chain 0.0051 0.1702 0.1702
Toxoplasma gondii beta tubulin 0.0051 0.1702 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0051 0.1702 0.1702
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0147 0.5
Echinococcus granulosus beta tubulin 0.0051 0.1702 0.1702
Trichomonas vaginalis tubulin gamma chain, putative 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Loa Loa (eye worm) tubulin beta chain 0.0051 0.1702 0.5562
Brugia malayi beta-tubulin, identical 0.0051 0.1702 0.5562
Leishmania major beta tubulin 0.0051 0.1702 1
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Echinococcus granulosus tubulin subunit beta 0.0051 0.1702 0.1702
Toxoplasma gondii beta-1 tubulin, putative 0.0051 0.1702 1
Echinococcus granulosus Tubulin beta 2C chain 0.0051 0.1702 0.1702
Schistosoma mansoni tar DNA-binding protein 0.0076 0.306 0.306
Echinococcus granulosus beta tubulin 0.0051 0.1702 0.1702
Echinococcus multilocularis beta tubulin 0.0051 0.1702 0.1702
Loa Loa (eye worm) tubulin beta-1 chain 0.0051 0.1702 0.5562
Loa Loa (eye worm) BEN-1 protein 0.0051 0.1702 0.5562
Brugia malayi RNA binding protein 0.0076 0.306 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0147 0.0862
Leishmania major beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0051 0.1702 1
Schistosoma mansoni ap endonuclease 0.0023 0.0147 0.0147
Echinococcus granulosus tar DNA binding protein 0.0076 0.306 0.306
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0147 0.0862
Giardia lamblia Beta tubulin 0.0051 0.1702 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.306 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.306 0.306
Echinococcus multilocularis Tubulin beta 2C chain 0.0051 0.1702 0.1702
Echinococcus multilocularis tubulin beta 1 chain 0.0051 0.1702 0.1702
Leishmania major beta tubulin 0.0051 0.1702 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0147 0.0862
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0147 0.0862
Loa Loa (eye worm) tubulin beta-4 chain 0.0051 0.1702 0.5562
Echinococcus granulosus tubulin beta 4A class IVa 0.0051 0.1702 0.1702
Leishmania major beta tubulin 0.0051 0.1702 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0147 0.0862
Leishmania major beta tubulin 0.0051 0.1702 1
Brugia malayi Tubulin beta-1 chain 0.0051 0.1702 0.5562
Giardia lamblia Beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Loa Loa (eye worm) BEN-1 protein 0.0051 0.1702 0.5562
Echinococcus granulosus Tubulin beta 2C chain 0.0051 0.1702 0.1702
Echinococcus multilocularis Tubulin beta 2C chain 0.0051 0.1702 0.1702
Leishmania major beta tubulin 0.0051 0.1702 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0147 0.5
Schistosoma mansoni tubulin subunit beta 0.0051 0.1702 0.1702
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0147 0.5
Echinococcus multilocularis tubulin subunit beta 0.0051 0.1702 0.1702
Echinococcus multilocularis Tubulin beta 2C chain 0.0051 0.1702 0.1702
Trichomonas vaginalis tubulin epsilon chain, putative 0.0051 0.1702 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0147 0.0479
Trypanosoma brucei beta tubulin 0.0051 0.1702 1
Leishmania major beta tubulin 0.0051 0.1702 1
Plasmodium vivax tubulin beta chain, putative 0.0051 0.1702 1
Trypanosoma cruzi beta tubulin, putative 0.0051 0.1702 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0147 0.0862
Entamoeba histolytica tubulin family protein 0.0051 0.1702 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0147 0.0479
Giardia lamblia Beta tubulin 0.0051 0.1702 1
Echinococcus multilocularis beta tubulin 0.0051 0.1702 0.1702
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0147 0.0862

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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