Detailed information for compound 1240832

Basic information

Technical information
  • TDR Targets ID: 1240832
  • Name: N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-(4-met hylphenyl)-4-nitrobenzenesulfonamide
  • MW: 435.494 | Formula: C20H25N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)C)CN1CCOCC1
  • InChi: 1S/C20H25N3O6S/c1-16-2-4-17(5-3-16)22(15-19(24)14-21-10-12-29-13-11-21)30(27,28)20-8-6-18(7-9-20)23(25)26/h2-9,19,24H,10-15H2,1H3
  • InChiKey: NNHWUWYZKWTKNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-hydroxy-3-morpholino-propyl)-N-(4-methylphenyl)-4-nitro-benzenesulfonamide
  • N-(2-hydroxy-3-morpholinopropyl)-N-(4-methylphenyl)-4-nitrobenzenesulfonamide
  • N-(2-hydroxy-3-morpholin-4-yl-propyl)-N-(4-methylphenyl)-4-nitro-benzenesulfonamide
  • Oprea1_220339
  • STOCK3S-45655
  • N-(2-Hydroxy-3-morpholin-4-yl-propyl)-4-nitro-N-p-tolyl-benzenesulfonamide
  • Oprea1_398560
  • BAS 01812666

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
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
Schistosoma mansoni hypothetical protein 0.0019 0.0617 0.3674
Loa Loa (eye worm) hypothetical protein 0.0059 0.2558 0.2549
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0079 0.0412
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.111 1
Brugia malayi Muscleblind-like protein 0.018 0.8378 0.8365
Brugia malayi DIX domain containing protein 0.0011 0.0224 0.0146
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0659 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0293 0.4422
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0941 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0293 0.0258
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0293 0.4422
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0224 0.0175
Echinococcus multilocularis muscleblind protein 1 0.018 0.8378 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0224 0.0175
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0293 0.0282
Loa Loa (eye worm) hypothetical protein 0.004 0.1659 0.165
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0293 0.0215
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0079 0.0068
Schistosoma mansoni hypothetical protein 0.004 0.1659 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0293 0.0258
Trypanosoma cruzi hypothetical protein 0.0008 0.0079 0.1508
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Loa Loa (eye worm) hypothetical protein 0.0011 0.0224 0.0213
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Schistosoma mansoni hypothetical protein 0.0019 0.0617 0.3674
Schistosoma mansoni dishevelled 0.0011 0.0224 0.1294
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Echinococcus granulosus bloom syndrome protein 0.0029 0.111 0.1242
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0817 0.4891
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0617 0.0648
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0224 0.0175
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0079 0.0412
Echinococcus multilocularis GPCR, family 2 0.0019 0.0617 0.0648
Loa Loa (eye worm) RecQ helicase 0.0029 0.111 0.11
Loa Loa (eye worm) hypothetical protein 0.018 0.8378 0.8376
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0462 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.2558 0.2498
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0617 0.0542
Loa Loa (eye worm) hypothetical protein 0.0012 0.0293 0.0282
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0011 0.0241
Schistosoma mansoni hypothetical protein 0.0019 0.0617 0.3674
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0224 0.0175
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0224 0.0213
Schistosoma mansoni dep domain containing protein 0.0011 0.0224 0.1294
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0293 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0224 0.0146
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1659 0.1593
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.2558 0.2498
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0462 0.3713
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Echinococcus multilocularis bloom syndrome protein 0.0029 0.111 0.1242
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0224 0.0175
Brugia malayi hypothetical protein 0.0011 0.0224 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0224 0.0175
Loa Loa (eye worm) hypothetical protein 0.0146 0.6723 0.672
Echinococcus granulosus muscleblind protein 0.018 0.8378 1
Onchocerca volvulus 0.0011 0.0224 0.0146
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0079 0.0412
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0079 0.0068
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0224 0.0175
Schistosoma mansoni DNA helicase recq1 0.0012 0.0293 0.1709
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0617 0.0606
Loa Loa (eye worm) hypothetical protein 0.0011 0.0224 0.0213
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0462 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0617 0.0648
Schistosoma mansoni dishevelled 0.0011 0.0224 0.1294
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0.0079 0.1508
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0224 0.1294
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0224 0.0175
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0462 0.5
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0224 0.1294
Trypanosoma cruzi hypothetical protein 0.0008 0.0079 0.1508
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0224 0.1294
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0224 0.0146
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0648 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.2558 0.2549
Echinococcus multilocularis muscleblind protein 0.018 0.8378 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0462 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0079 0.0068
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0293 0.0258
Schistosoma mansoni hypothetical protein 0.0019 0.0617 0.3674
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Loa Loa (eye worm) hypothetical protein 0.018 0.8378 0.8376
Toxoplasma gondii hypothetical protein 0.0011 0.0224 0.3347
Brugia malayi hypothetical protein 0.0011 0.0224 0.0146
Loa Loa (eye worm) hypothetical protein 0.0011 0.0224 0.0213
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0224 0.0146
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0079 0.0412
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.111 0.1039
Loa Loa (eye worm) hypothetical protein 0.0019 0.0617 0.0606
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0079 0.0068
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0617 0.0648
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0079 0.0068
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0224 0.0175
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0224 0.0213
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0617 0.0648
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Entamoeba histolytica hypothetical protein 0.0008 0.0079 0.1713
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0011 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0224 0.0146
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0293 0.0258
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0079 0.1713
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0617 0.0542
Echinococcus granulosus GPCR family 2 0.0019 0.0617 0.0648
Schistosoma mansoni DNA helicase recq5 0.0012 0.0293 0.1709
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.111 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0293 0.0215
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0224 0.0175
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0079 0.0412
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0061 0.0305
Loa Loa (eye worm) hypothetical protein 0.0214 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 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) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 11.2202 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 WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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