Detailed information for compound 1423050

Basic information

Technical information
  • TDR Targets ID: 1423050
  • Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-nitroben zamide
  • MW: 391.398 | Formula: C17H17N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1[N+](=O)[O-])Nc1cccc(c1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C17H17N3O6S/c21-17(15-6-1-2-7-16(15)20(22)23)18-13-4-3-5-14(12-13)27(24,25)19-8-10-26-11-9-19/h1-7,12H,8-11H2,(H,18,21)
  • InChiKey: AOJIMDBQMIXEBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-morpholinosulfonylphenyl)-2-nitro-benzamide
  • N-(3-morpholinosulfonylphenyl)-2-nitrobenzamide
  • N-(3-morpholin-4-ylsulfonylphenyl)-2-nitro-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) Smad1 0.0008 0.007 0.007
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0772 0.1591
Loa Loa (eye worm) hypothetical protein 0.0046 0.0772 0.0772
Brugia malayi glutaminase DH11.1 0.0535 1 1
Trypanosoma brucei unspecified product 0.0014 0.0186 0.55
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0186 0.55
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.4483 1
Schistosoma mansoni hypothetical protein 0.0049 0.0845 0.0812
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1606 0.1576
Echinococcus granulosus dna polymerase kappa 0.0021 0.0309 0.0541
Echinococcus granulosus tar DNA binding protein 0.0196 0.36 0.7999
Brugia malayi polk-prov protein 0.0007 0.0036 0.0036
Echinococcus granulosus geminin 0.0167 0.3052 0.6758
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0772 0.0739
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.4389 0.4389
Leishmania major hypothetical protein, conserved 0.0015 0.0193 0.1498
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.1606 0.1606
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.007
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0309 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0309 0.0274
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.1022 0.9383
Schistosoma mansoni bromodomain containing protein 0.0061 0.1072 0.104
Schistosoma mansoni hypothetical protein 0.0015 0.0193 0.0158
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1087 0.1054
Brugia malayi Bromodomain containing protein 0.0073 0.1287 0.1287
Brugia malayi Smad1 0.0008 0.007 0.007
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0947 0.0947
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1606 0.348
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1087 0.2303
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0571 0.1135
Echinococcus granulosus dna polymerase eta 0.0021 0.0309 0.0541
Loa Loa (eye worm) hypothetical protein 0.0037 0.0616 0.0616
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0186 0.55
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1007 0.2122
Schistosoma mansoni tar DNA-binding protein 0.0196 0.36 0.3577
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0309 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.044 0.0837
Loa Loa (eye worm) RNA binding protein 0.0196 0.36 0.36
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0309 0.0274
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.1022 0.0989
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0309 0.0541
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1087 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0193 0.5769
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1087 0.1054
Leishmania major DNA polymerase eta, putative 0.0021 0.0309 0.2598
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0225 0.0352
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.3726 0.3726
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.4483 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0225 0.019
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.046 0.0426
Schistosoma mansoni smad 0.0008 0.007 0.0034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1606 0.348
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0272 0.0456
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0326 0.0291
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0309 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1606 0.348
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.1606 0.1606
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0326 0.058
Brugia malayi TAR-binding protein 0.0196 0.36 0.36
Giardia lamblia DINP protein human, muc B family 0.0021 0.0309 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0659 0.0659
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1087 1
Echinococcus granulosus zinc finger protein 0.0019 0.0272 0.0456
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0571 0.1135
Trypanosoma brucei ISWI complex protein 0.0015 0.0193 0.5769
Brugia malayi MH2 domain containing protein 0.0122 0.222 0.222
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.007
Brugia malayi RNA recognition motif domain containing protein 0.0196 0.36 0.36
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Schistosoma mansoni tar DNA-binding protein 0.0196 0.36 0.3577
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0309 0.0274
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.007 0.007
Onchocerca volvulus 0.0049 0.0845 0.1016
Echinococcus multilocularis geminin 0.0167 0.3052 0.6758
Loa Loa (eye worm) hypothetical protein 0.0242 0.4483 0.4483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1606 0.1576
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0309 1
Plasmodium vivax SET domain protein, putative 0.0029 0.046 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1087 0.2303
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0196 0.36 0.36
Trypanosoma brucei unspecified product 0.0021 0.0309 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.1022 0.1022
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0186 0.55
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.007 0.007
Schistosoma mansoni tar DNA-binding protein 0.0196 0.36 0.3577
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.1022 0.0989
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0772 0.0739
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0772 0.1591
Brugia malayi Bromodomain containing protein 0.0037 0.0615 0.0615
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0309 0.2598
Schistosoma mansoni survival motor neuron protein 0.0049 0.0845 0.0812
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0309 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0309 0.0541
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.222 0.222
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.007 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1087 0.1054
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1007 0.2122
Brugia malayi follicle stimulating hormone receptor 0.0237 0.4389 0.4389
Brugia malayi RNA binding protein 0.0196 0.36 0.36
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0845 0.0845
Mycobacterium ulcerans glutaminase 0.0535 1 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0036 0.5
Schistosoma mansoni DNA polymerase eta 0.0021 0.0309 0.0274
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.046 0.4036
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1087 1
Onchocerca volvulus 0.023 0.4252 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1209 0.1209
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0309 0.0274
Trypanosoma brucei unspecified product 0.0014 0.0186 0.55
Loa Loa (eye worm) hypothetical protein 0.0041 0.0694 0.0694
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.007
Schistosoma mansoni hypothetical protein 0.002 0.0291 0.0256
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.1022 0.2156
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.222 0.222
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0309 0.0309
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0034
Schistosoma mansoni hypothetical protein 0.0167 0.3052 0.3027
Echinococcus multilocularis dna polymerase eta 0.0021 0.0309 0.0541
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0309 0.0309
Schistosoma mansoni glutaminase 0.0535 1 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0309 0.2598
Schistosoma mansoni zinc finger protein 0.0019 0.0272 0.0237
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1087 0.1054
Trichomonas vaginalis glutaminase, putative 0.0535 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0326 0.058
Brugia malayi Pre-SET motif family protein 0.0029 0.046 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1606 0.1576
Brugia malayi Pre-SET motif family protein 0.0202 0.3726 0.3726
Brugia malayi hypothetical protein 0.0242 0.4483 0.4483
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0309 0.0309
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.046 0.0883
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0034
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.1022 0.9167
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0309 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0225 0.019
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.1022 0.0989
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0309 1
Schistosoma mansoni tar DNA-binding protein 0.0196 0.36 0.3577
Trypanosoma cruzi ISWI complex protein 0.0015 0.0193 0.5769
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1087 0.1054
Schistosoma mansoni zinc finger protein 0.0015 0.0193 0.0158
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1606 0.348
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0309 0.5
Trichomonas vaginalis set domain proteins, putative 0.023 0.4252 0.4069
Echinococcus multilocularis tar DNA binding protein 0.0196 0.36 0.7999
Schistosoma mansoni hypothetical protein 0.0167 0.3052 0.3027
Loa Loa (eye worm) hypothetical protein 0.0021 0.0309 0.0309
Brugia malayi PHD-finger family protein 0.0024 0.0369 0.0369
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.1022 0.2156
Loa Loa (eye worm) glutaminase 0.0535 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.046 0.0426
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0225 0.0352
Loa Loa (eye worm) TAR-binding protein 0.0196 0.36 0.36
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0291 0.0291
Schistosoma mansoni tar DNA-binding protein 0.0196 0.36 0.3577
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0237 0.0237
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0309 1
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0309 0.0541
Schistosoma mansoni Smad4 0.0008 0.007 0.0034

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 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

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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