Detailed information for compound 1868922

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.884 | Formula: C22H15ClN2O4S
  • H donors: 1 H acceptors: 4 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN1C(=O)S/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=O
  • InChi: 1S/C22H15ClN2O4S/c23-16-7-3-14(4-8-16)13-25-20(26)19(30-22(25)29)12-18-2-1-11-24(18)17-9-5-15(6-10-17)21(27)28/h1-12H,13H2,(H,27,28)/b19-12-
  • InChiKey: UAENRXJVZBWAOY-UNOMPAQXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644

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
Treponema pallidum ATP-dependent DNA helicase 0.0012 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.076 0.1904
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0037 0.1618 0.9468
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1144 0.1891
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.076 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.1144 0.1934
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.076 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Leishmania major DNA polymerase eta, putative 0.0038 0.1708 0.4775
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.076 0.277
Schistosoma mansoni DNA polymerase eta 0.0054 0.2746 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0715 0.4186
Echinococcus granulosus dna polymerase eta 0.0054 0.2746 0.9785
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.076 0.6645
Brugia malayi Bloom's syndrome protein homolog 0.0055 0.279 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Echinococcus granulosus dna polymerase kappa 0.0023 0.076 0.0218
Trichomonas vaginalis DNA helicase recq1, putative 0.0055 0.279 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.076 0.0218
Loa Loa (eye worm) RecQ helicase 0.0055 0.279 0.2235
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.076 0.0218
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.1144 0.3469
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.076 0.277
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0048 0.2361 1
Echinococcus granulosus bloom syndrome protein 0.0055 0.279 1
Echinococcus multilocularis bloom syndrome protein 0.0055 0.279 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.076 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2746 0.2187
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Leishmania major DNA polymerase eta, putative 0.0054 0.2746 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.076 0.1904
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0029 0.1144 0.1934
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0037 0.1646 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.076 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.076 0.0049
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.2746 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.076 0.5
Echinococcus multilocularis dna polymerase eta 0.0054 0.2746 0.9785
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.076 0.1904
Entamoeba histolytica recQ family helicase, putative 0.0029 0.1144 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.2746 0.9785
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1708 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0715 0.4186
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1708 0.4775
Trypanosoma brucei unspecified product 0.0023 0.076 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.076 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.076 0.0218
Schistosoma mansoni blooms syndrome DNA helicase 0.0043 0.2047 0.7454
Schistosoma mansoni DNA helicase recq1 0.0023 0.0715 0.2605
Schistosoma mansoni DNA helicase recq5 0.0023 0.0715 0.2605
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.2746 1
Trichomonas vaginalis DNA helicase recq, putative 0.0055 0.279 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.076 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.5683 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: BLM Helicase Counterscreen for WRN Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.6138 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: Confirmatory Assay for Cherry-picked Compounds.. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.1014 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. 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.

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