Detailed information for compound 903354

Basic information

Technical information
  • TDR Targets ID: 903354
  • Name: 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-N -methylthiophene-3-carboxamide
  • MW: 372.847 | Formula: C14H13ClN2O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C14H13ClN2O4S2/c1-16-13(19)11-6-7-22-14(11)17-12(18)8-23(20,21)10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
  • InChiKey: KAWOJXKIPJMLBK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-N-methyl-thiophene-3-carboxamide
  • 2-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-N-methyl-3-thiophenecarboxamide
  • 2-[2-(4-chlorophenyl)sulfonylethanoylamino]-N-methyl-thiophene-3-carboxamide
  • ZINC04496176

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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 braziliensis apurinic/apyrimidinic endonuclease-redox 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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
Schistosoma mansoni ap 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 yoelii putative AP endonuclease-related 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
Brugia malayi exodeoxyribonuclease III family 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0515 1 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.3632 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Giardia lamblia hypothetical protein 0.0063 0 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0164 0.2231 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0515 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.8598 0.8598
Toxoplasma gondii hypothetical protein 0.0164 0.2231 0.2594
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0227 0.3632 0.3632
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Mycobacterium leprae conserved hypothetical protein 0.0164 0.2231 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0164 0.2231 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0227 0.3632 0.3632
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.8598 0.8598
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0227 0.3632 0.3632
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0515 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0351 0.6368 0.6368
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0227 0.3632 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.2231 0.6141
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0515 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0164 0.2231 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0227 0.3632 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0351 0.6368 0.6368
Plasmodium vivax hypothetical protein, conserved 0.0164 0.2231 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0063 0 0.5
Plasmodium falciparum GAF domain-related protein, putative 0.0164 0.2231 1
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.8598 0.8598
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0515 1 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0515 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0227 0.3632 0.3632
Trichomonas vaginalis conserved hypothetical protein 0.0164 0.2231 0.2231
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Toxoplasma gondii hypothetical protein 0.0164 0.2231 0.2594
Mycobacterium ulcerans putative regulatory protein 0.0164 0.2231 0.5
Toxoplasma gondii GAF domain-containing protein 0.0164 0.2231 0.2594
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0351 0.6368 0.6368
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0515 1 1
Giardia lamblia Hypothetical protein 0.0063 0 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0227 0.3632 0.3632
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0515 1 1
Mycobacterium ulcerans putative regulatory protein 0.0164 0.2231 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0227 0.3632 0.3632
Toxoplasma gondii hypothetical protein 0.0451 0.8598 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1683 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 29.0929 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

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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