Detailed information for compound 1281247

Basic information

Technical information
  • TDR Targets ID: 1281247
  • Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylam ino]-N-[2-(3-methylphenyl)ethyl]acetamide
  • MW: 403.518 | Formula: C19H21N3O3S2
  • H donors: 2 H acceptors: 4 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNS(=O)(=O)c1ccc2c(c1)sc(n2)C)NCCc1cccc(c1)C
  • InChi: 1S/C19H21N3O3S2/c1-13-4-3-5-15(10-13)8-9-20-19(23)12-21-27(24,25)16-6-7-17-18(11-16)26-14(2)22-17/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,23)
  • InChiKey: CBSYQIIHKRVYCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]ethanamide

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
Plasmodium berghei 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
Plasmodium falciparum 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
Trypanosoma cruzi 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
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
Loa Loa (eye worm) 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
Schistosoma mansoni ap endonuclease 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
Theileria parva hypothetical protein 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 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
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
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
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 DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
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
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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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 yoelii putative AP endonuclease-related 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
Brugia malayi exodeoxyribonuclease III family protein 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1075 0.126 0.3671
Giardia lamblia GTOR 0.1075 0.126 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1075 0.126 0.6526
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2071 0.3331 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Leishmania major phosphatidylinositol 3-kinase, putative 0.1075 0.126 0.3831
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0896 0.0889 0.3608
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0819 0.0728 0.4536
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.528 1 1
Echinococcus granulosus serine protein kinase ATM 0.0896 0.0889 0.0889
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1075 0.126 0.6526
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1075 0.126 0.3671
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0896 0.0889 0.2537
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2071 0.3331 1
Loa Loa (eye worm) hypothetical protein 0.0675 0.043 0.2526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Loa Loa (eye worm) phosphatidylinositol 3 0.1287 0.1702 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Echinococcus multilocularis serine protein kinase ATM 0.0896 0.0889 0.0889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0606 0.0286 0.0858
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Loa Loa (eye worm) hypothetical protein 0.0606 0.0286 0.168
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0606 0.0286 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Toxoplasma gondii target of rapamycin (TOR), putative 0.1075 0.126 1
Leishmania major hypothetical protein, conserved 0.2005 0.3194 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trypanosoma cruzi target of rapamycin kinase 3 0.1075 0.126 0.3671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0896 0.0889 0.5222
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1075 0.126 0.3831
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0606 0.0286 0.0286
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1075 0.126 0.6526
Schistosoma mansoni fkbp-rapamycin associated protein 0.0606 0.0286 0.0858
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1075 0.126 0.3783
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.1702 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1287 0.1702 1
Trypanosoma cruzi hypothetical protein, conserved 0.1799 0.2764 0.8269
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2071 0.3331 1
Toxoplasma gondii FATC domain-containing protein 0.0896 0.0889 0.5528
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1075 0.126 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0819 0.0728 0.4276
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1075 0.126 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0606 0.0286 0.168
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1075 0.126 0.3783
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Loa Loa (eye worm) phosphatidylinositol 3 0.1075 0.126 0.7404
Trichomonas vaginalis conserved hypothetical protein 0.0675 0.043 0.2526
Loa Loa (eye worm) hypothetical protein 0.0689 0.0459 0.2697
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1075 0.126 0.126
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2071 0.3331 0.3331
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0896 0.0889 0.2668
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1075 0.126 0.126
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1075 0.126 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0606 0.0286 0.0286
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Entamoeba histolytica hypothetical protein 0.0896 0.0889 0.6189
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1075 0.126 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2071 0.3331 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.126 0.7404
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1287 0.1702 0.524
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0896 0.0889 0.2668
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1075 0.126 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.043 0.2526
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0689 0.0459 0.1223
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2071 0.3331 0.3331

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7519 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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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