Detailed information for compound 1286545

Basic information

Technical information
  • TDR Targets ID: 1286545
  • Name: 3-(2,1,3-benzoxadiazol-7-ylsulfonylamino)-N-( 2-ethoxyphenyl)propanamide
  • MW: 390.414 | Formula: C17H18N4O5S
  • H donors: 2 H acceptors: 5 LogP: 1.29 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)CCNS(=O)(=O)c1cccc2c1non2
  • InChi: 1S/C17H18N4O5S/c1-2-25-14-8-4-3-6-12(14)19-16(22)10-11-18-27(23,24)15-9-5-7-13-17(15)21-26-20-13/h3-9,18H,2,10-11H2,1H3,(H,19,22)
  • InChiKey: HACCZTCLPNOXBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(benzofurazan-4-ylsulfonylamino)-N-(2-ethoxyphenyl)propionamide
  • NCGC00104147-01
  • C105-1572

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni apoferritin-2 0.0027 0.0226 0.0619
Brugia malayi beta-lactamase family protein 0.0038 0.0567 0.0567
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0206 0.3272
Brugia malayi hypothetical protein 0.0021 0.0012 0.0012
Mycobacterium ulcerans beta-lactamase 0.0038 0.0567 1
Brugia malayi beta-lactamase 0.0038 0.0567 0.0567
Brugia malayi Cytochrome P450 family protein 0.0031 0.0353 0.0353
Plasmodium falciparum thioredoxin reductase 0.004 0.0629 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0567 0.0489
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0963 0.0952
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0206 0.3272
Mycobacterium ulcerans hypothetical protein 0.0038 0.0567 1
Loa Loa (eye worm) beta-lactamase 0.0038 0.0567 0.0567
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0963 0.0952
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0567 0.0489
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0567 0.1604
Plasmodium falciparum glutathione reductase 0.004 0.0629 1
Brugia malayi Thioredoxin reductase 0.004 0.0629 0.0629
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0567 0.1428
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0567 0.901
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0567 0.0489
Mycobacterium ulcerans lipase LipD 0.0038 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0963 0.0963
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0567 1
Echinococcus multilocularis GPCR, family 2 0.005 0.0963 0.0952
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Brugia malayi MH2 domain containing protein 0.0144 0.4024 0.4024
Echinococcus granulosus survival motor neuron protein 1 0.0261 0.7817 0.7814
Echinococcus granulosus GPCR family 2 0.005 0.0963 0.0952
Mycobacterium tuberculosis Conserved protein 0.0038 0.0567 0.0489
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0567 0.901
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.4473 0.4473
Schistosoma mansoni ferritin 0.0027 0.0226 0.0619
Schistosoma mansoni lipoxygenase 0.0087 0.2155 0.6194
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0629 0.0629
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0012 0.0012
Mycobacterium tuberculosis Probable reductase 0.0091 0.2282 0.2954
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.2282 0.2954
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0646 0.0635
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0206 0.3146
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0963 0.0952
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.2611 0.3426
Mycobacterium tuberculosis Conserved protein 0.0038 0.0567 0.0489
Schistosoma mansoni ferritin 0.0027 0.0226 0.0619
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0567 0.0556
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0124 0.3367 0.3359
Brugia malayi hypothetical protein 0.0027 0.0206 0.0206
Schistosoma mansoni hypothetical protein 0.005 0.0963 0.2749
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0629 1
Leishmania major hypothetical protein, conserved 0.0038 0.0567 0.901
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0567 0.901
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.4473 0.4473
Plasmodium vivax glutathione reductase, putative 0.004 0.0629 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.2611 0.3426
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.4473 0.4473
Leishmania major trypanothione reductase 0.004 0.0629 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.7817 0.7817
Loa Loa (eye worm) glutathione reductase 0.004 0.0629 0.0629
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0567 0.0489
Brugia malayi Latrophilin receptor protein 2 0.005 0.0963 0.0963
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Brugia malayi beta-lactamase family protein 0.0038 0.0567 0.0567
Schistosoma mansoni lipoxygenase 0.0124 0.3367 0.9698
Mycobacterium ulcerans bacterioferritin BfrB 0.0027 0.0226 0.3987
Schistosoma mansoni hypothetical protein 0.0108 0.2848 0.8199
Mycobacterium tuberculosis Conserved protein 0.0038 0.0567 0.0489
Onchocerca volvulus 0.0038 0.0567 0.5256
Schistosoma mansoni ferritin 0.0027 0.0226 0.0619
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0206 0.0206
Schistosoma mansoni survival motor neuron protein 0.0053 0.1067 0.3052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0963 0.0952
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.2611 0.3426
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0963 0.0963
Trichomonas vaginalis esterase, putative 0.0038 0.0567 1
Echinococcus granulosus expressed protein 0.0027 0.0226 0.0215
Schistosoma mansoni apoferritin-2 0.0027 0.0226 0.0619
Brugia malayi hypothetical protein 0.0021 0.0012 0.0012
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0353 0.0353
Schistosoma mansoni ferritin 0.0027 0.0226 0.0619
Echinococcus multilocularis survival motor neuron protein 1 0.0261 0.7817 0.7814
Schistosoma mansoni ferritin light chain 0.0027 0.0226 0.0619
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.2611 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0963 0.0963
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0567 0.0567
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0567 0.0556
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0567 0.1604
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.2282 0.2954
Echinococcus multilocularis ferritin 0.0027 0.0226 0.0215
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1067 0.1067
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0567 1
Echinococcus multilocularis expressed protein 0.0027 0.0226 0.0215
Mycobacterium ulcerans bacterioferritin BfrA 0.0027 0.0226 0.3987
Echinococcus granulosus ferritin 0.0027 0.0226 0.0215
Schistosoma mansoni ferritin light chain 0.0027 0.0226 0.0619
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Brugia malayi glutathione reductase 0.004 0.0629 0.0629
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0567 0.0489
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.2848 0.2848
Schistosoma mansoni hypothetical protein 0.005 0.0963 0.2749
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.7187 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0206 0.3272
Schistosoma mansoni hypothetical protein 0.005 0.0963 0.2749
Onchocerca volvulus 0.0053 0.1067 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4024 0.4024
Toxoplasma gondii ABC1 family protein 0.0038 0.0567 0.8529
Onchocerca volvulus 0.0038 0.0567 0.5256
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0629 0.0579
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0226 0.5
Toxoplasma gondii thioredoxin reductase 0.004 0.0629 1
Onchocerca volvulus 0.0038 0.0567 0.5256
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0567 0.0489
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.2282 0.2954
Treponema pallidum bacterioferrin (TpF1) 0.0027 0.0226 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0206 0.3146
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0206 0.3146
Schistosoma mansoni hypothetical protein 0.005 0.0963 0.2749
Loa Loa (eye worm) hypothetical protein 0.0108 0.2848 0.2848
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0567 0.0567
Trypanosoma brucei trypanothione reductase 0.004 0.0629 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Brugia malayi hypothetical protein 0.0261 0.7817 0.7817
Leishmania major hypothetical protein, conserved 0.0027 0.0206 0.3272
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.2282 0.2954
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.2282 0.2954
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0091 0.2282 0.8622
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4024 0.4024
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0124 0.3367 0.3359
Loa Loa (eye worm) hypothetical protein 0.0158 0.4473 0.4473
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0567 0.0489
Loa Loa (eye worm) hypothetical protein 0.0038 0.0567 0.0567
Brugia malayi Doublecortin family protein 0.0021 0.0012 0.0012
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0646 0.0635
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0629 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0567 0.1428
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0567 0.8992
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0567 1
Schistosoma mansoni hypothetical protein 0.0053 0.1067 0.3052

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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 (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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 (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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