Detailed information for compound 1555729

Basic information

Technical information
  • TDR Targets ID: 1555729
  • Name: 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarbo ximidamide
  • MW: 300.784 | Formula: C11H9ClN2O2S2
  • H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1C(=N)NS(=O)(=O)c1cccs1
  • InChi: 1S/C11H9ClN2O2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H,(H2,13,14)
  • InChiKey: VTCLMISBGFGWLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N'-(2-thienylsulfonyl)benzamidine
  • 2-chloro-N'-thiophen-2-ylsulfonyl-benzenecarboximidamide
  • ZINC05552895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ap endonuclease 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
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 Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1176 0.1355
Leishmania major carbamoyl-phosphate synthase, putative 0.0031 0.0311 0.118
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2639 0.9759
Schistosoma mansoni kinase 0.0047 0.0917 0.3391
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.0612
Plasmodium vivax SET domain protein, putative 0.0036 0.0506 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2704 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2639 0.9759
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0031 0.0311 0.0381
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2639 1
Schistosoma mansoni hypothetical protein 0.0037 0.0531 0.1965
Brugia malayi Pre-SET motif family protein 0.0036 0.0506 0.0583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.2704 0.3114
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2639 0.3039
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0506 0.1873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.2704 0.3114
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0031 0.0311 0.6147
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8681 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Schistosoma mansoni aspartate carbamoyltransferase 0.0031 0.0311 0.1152
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2639 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0871 0.0871
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1176 0.1355
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.1873
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0238 0.8166 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2704 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2639 0.2246
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2639 0.3039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1176 0.1355
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0031 0.0311 0.0381
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0871 0.0871
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2704 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0506 0.1873
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2639 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2704 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0506 0.1873
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0456 0.1687
Toxoplasma gondii carbamoylphosphate synthetase 0.0031 0.0311 0.6147
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2639 0.2639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2704 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0031 0.0311 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.1873
Trypanosoma brucei polo-like protein kinase 0.0092 0.2639 1
Giardia lamblia Kinase, PLK 0.0092 0.2639 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0531 0.0612
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0238 0.8166 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2639 0.9759
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0238 0.8166 1
Brugia malayi Pre-SET motif family protein 0.0251 0.8681 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.0583
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0506 1
Mycobacterium leprae Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf 0.0238 0.8166 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1176 0.1355
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0506 0.1873
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.1873
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2639 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2704 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2704 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0752 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) 3.5481 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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

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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