Detailed information for compound 1542704

Basic information

Technical information
  • TDR Targets ID: 1542704
  • Name: N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin -4-ylphenyl]-2-methylbenzamide
  • MW: 481.564 | Formula: C25H27N3O5S
  • H donors: 2 H acceptors: 3 LogP: 3.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NS(=O)(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1C
  • InChi: 1S/C25H27N3O5S/c1-18-7-3-4-8-20(18)25(29)26-19-11-12-22(28-13-15-33-16-14-28)24(17-19)34(30,31)27-21-9-5-6-10-23(21)32-2/h3-12,17,27H,13-16H2,1-2H3,(H,26,29)
  • InChiKey: JJOPBSQQDMRVAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholino-phenyl]-2-methyl-benzamide
  • N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholinophenyl]-2-methylbenzamide
  • N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-yl-phenyl]-2-methyl-benzamide
  • T5322343

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like 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
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative 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
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) 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
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, 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
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative 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 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 Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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
Schistosoma japonicum Bloom syndrome protein homolog, putative 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
Neospora caninum hypothetical protein 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
Brugia malayi ATP-dependent DNA helicase, RecQ family 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
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase 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
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
Brugia malayi ATP-dependent DNA helicase, RecQ family 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
Loa Loa (eye worm) RecQ helicase 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 multilocularis bloom syndrome protein 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, 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
Plasmodium vivax ADP-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
Loa Loa (eye worm) ATP-dependent DNA helicase 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 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
Loa Loa (eye worm) hypothetical protein 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
Treponema pallidum ATP-dependent DNA helicase 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
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus bloom syndrome protein 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
Echinococcus granulosus ATP dependent DNA helicase Q1 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Trichomonas vaginalis DNA helicase recq1, 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
Theileria parva hypothetical protein 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
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0565 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0255 0.1721
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0255 0.1503
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0066 0.0056
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0967 0.7788
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.2852
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0255 0.4422
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0255 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0165 0.0156
Loa Loa (eye worm) hypothetical protein 0.005 0.1861 0.1853
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.1223 1
Brugia malayi MH2 domain containing protein 0.0144 0.5782 0.5754
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0255 0.1503
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0394 0.6936
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0255 0.0191
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0255 0.0246
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0394 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0255 0.0191
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.1223 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0421 0.282
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1861 0.1807
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0394 0.2609
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0394 0.0385
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0394 0.6936
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0402 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0394 0.0331
Echinococcus granulosus Smad4 0.001 0.0165 0.0792
Echinococcus multilocularis GPCR, family 2 0.0016 0.0421 0.282
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.147 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0066 0.0056
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0255 0.1503
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0421 0.0358
Brugia malayi MH1 domain containing protein 0.001 0.0165 0.01
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0165 0.0792
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0066 0.043
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0066 0.043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0421 0.282
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0402 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0394 0.2671
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0165 0.0792
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.021 0.0145
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0394 0.2609
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.1326 1
Echinococcus granulosus bloom syndrome protein 0.0029 0.0967 0.7149
Brugia malayi MH2 domain containing protein 0.001 0.0165 0.01
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0066 0.0056
Schistosoma mansoni DNA helicase recq1 0.0012 0.0255 0.1721
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0402 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0165 0.111
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0967 0.7149
Loa Loa (eye worm) hypothetical protein 0.0016 0.0421 0.0412
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.02
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0394 0.2471
Schistosoma mansoni blooms syndrome DNA helicase 0.0006 0.001 0.005
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5782 0.5778
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.1326 1
Brugia malayi Smad1 0.001 0.0165 0.01
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0574 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0402 1
Echinococcus granulosus GPCR family 2 0.0016 0.0421 0.282
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0255 0.4422
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0394 0.2609
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0066 0.043
Echinococcus multilocularis Smad4 0.001 0.0165 0.0792
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0402 0.2909
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.021 0.1414
Loa Loa (eye worm) hypothetical protein 0.0146 0.5856 0.5852
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0066 0.043
Onchocerca volvulus 0.0245 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0066 0.043
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5782 0.5778
Brugia malayi MH1 domain containing protein 0.001 0.0165 0.01
Loa Loa (eye worm) hypothetical protein 0.0034 0.1194 0.1186
Echinococcus multilocularis smad 0.001 0.0165 0.0792
Schistosoma mansoni Smad4 0.001 0.0165 0.111
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0394 0.687
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0421 0.0358
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.2852
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.001 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.021 0.1414
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0394 0.9804
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0165 0.0156
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0165 0.0792
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.1326 0.1269
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1861 0.1853
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0421 0.0412
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0421 0.282
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.021 0.1145
Loa Loa (eye worm) Smad1 0.001 0.0165 0.0156
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0066 0.043
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.1326 0.1318
Loa Loa (eye worm) RecQ helicase 0.0029 0.0967 0.0958
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.082 1
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.2852
Brugia malayi MH2 domain containing protein 0.001 0.0165 0.01
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.147 1
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.2852
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.021 0.1145
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0255 0.1503
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0394 0.2609
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0394 0.2609
Echinococcus granulosus smad 0.001 0.0165 0.0792
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1194 0.1136
Schistosoma mansoni smad1 5 8 and 0.001 0.0165 0.111
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0165 0.111
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0394 0.0331
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0967 0.7788
Schistosoma mansoni smad 0.001 0.0165 0.111
Schistosoma mansoni hypothetical protein 0.0034 0.1194 0.8119
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1861 0.1807
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0421 0.282
Echinococcus granulosus voltage gated potassium channel 0.0011 0.021 0.1145
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0394 0.2609
Loa Loa (eye worm) hypothetical protein 0.0033 0.1119 0.111
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.021 0.1145
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0712 0.4832
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0165 0.0792
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0967 0.0907
Schistosoma mansoni smad1 5 8 and 0.001 0.0165 0.111
Entamoeba histolytica recQ family DNA helicase 0.0006 0.001 0.0241
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0394 0.9804
Loa Loa (eye worm) hypothetical protein 0.0012 0.0255 0.0246
Loa Loa (eye worm) pax transcription factor protein 2 0.0245 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 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) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) 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

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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