Detailed information for compound 1435858

Basic information

Technical information
  • TDR Targets ID: 1435858
  • Name: N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl ]benzamide
  • MW: 362.443 | Formula: C18H22N2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.23 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCNS(=O)(=O)CCNC(=O)c1ccccc1
  • InChi: 1S/C18H22N2O4S/c1-24-17-9-7-15(8-10-17)11-12-20-25(22,23)14-13-19-18(21)16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,19,21)
  • InChiKey: QNUFZPGKRCTEJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC04940925

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0369 0.0819 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.0819 0.0819
Brugia malayi MBOAT family protein 0.0369 0.0819 0.0819
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 0.0548 0.0548
Trichomonas vaginalis conserved hypothetical protein 0.0369 0.0819 1
Brugia malayi Hhat protein 0.0369 0.0819 0.0819
Echinococcus multilocularis zinc finger protein 0.3913 0.9134 0.9134
Loa Loa (eye worm) hypothetical protein 0.0369 0.0819 0.0819
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0369 0.0819 0.0819
Schistosoma mansoni hypothetical protein 0.0205 0.0433 0.0433
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0369 0.0819 0.0819
Trypanosoma cruzi GUP1, putative 0.0369 0.0819 1
Loa Loa (eye worm) MBOAT family protein 0.0369 0.0819 0.0819
Entamoeba histolytica vacuolar protein sorting 26 0.0369 0.0819 1
Leishmania major glycerol uptake protein, putative 0.0369 0.0819 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.0819 0.0819
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0369 0.0819 0.0819
Brugia malayi follicle stimulating hormone receptor 0.025 0.0539 0.0539
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0369 0.0819 0.0819
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0369 0.0819 0.0819
Echinococcus granulosus o acyltransferase membrane bound domain 0.0369 0.0819 0.0819
Trypanosoma cruzi glycerol uptake protein, putative 0.0369 0.0819 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4282 1 1
Echinococcus granulosus neuropeptide s receptor 0.0498 0.1121 0.1121
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0 0.5
Loa Loa (eye worm) MBOAT family protein 0.4282 1 1
Echinococcus granulosus zinc finger protein 0.3913 0.9134 0.9134
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0369 0.0819 0.0819
Schistosoma mansoni survival motor neuron protein 0.0052 0.0074 0.0074
Loa Loa (eye worm) MBOAT family protein 0.0369 0.0819 0.0819
Trichomonas vaginalis transmembrane protein nessy, putative 0.0369 0.0819 1
Trypanosoma cruzi GUP1, putative 0.0369 0.0819 1
Echinococcus multilocularis neuropeptide s receptor 0.0498 0.1121 0.1121
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0369 0.0819 0.0819
Trichomonas vaginalis conserved hypothetical protein 0.0369 0.0819 1
Leishmania major hypothetical protein, conserved 0.0369 0.0819 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0369 0.0819 0.0819
Treponema pallidum alginate O-acetylation protein (algI) 0.0369 0.0819 1
Leishmania major glycerol uptake protein, putative 0.0369 0.0819 1
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.0548 0.0548
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4282 1 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0369 0.0819 0.0819
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2251 0.2251
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0369 0.0819 0.0819
Schistosoma mansoni zinc finger protein 0.4282 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0369 0.0819 0.0819
Brugia malayi MBOAT family protein 0.0369 0.0819 0.0819
Schistosoma mansoni hypothetical protein 0.0205 0.0433 0.0433
Entamoeba histolytica hypothetical protein 0.0369 0.0819 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0369 0.0819 0.0819
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0369 0.0819 0.0819
Echinococcus multilocularis neuropeptide receptor A26 0.0498 0.1121 0.1121
Onchocerca volvulus 0.0369 0.0819 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0369 0.0819 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0369 0.0819 0.0819
Brugia malayi hypothetical protein 0.0254 0.0548 0.0548
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.0548 0.0548
Leishmania major glycerol uptake protein, putative 0.0369 0.0819 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0074 0.0074
Loa Loa (eye worm) hhat protein 0.0369 0.0819 0.0819
Trypanosoma brucei glycerol uptake protein, putative 0.0369 0.0819 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0369 0.0819 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0369 0.0819 1
Echinococcus granulosus neuropeptide receptor A26 0.0498 0.1121 0.1121
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.0539 0.0539
Echinococcus granulosus o acyltransferase membrane bound domain 0.0369 0.0819 0.0819
Loa Loa (eye worm) hhat protein 0.0369 0.0819 0.0819
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0369 0.0819 1
Brugia malayi MBOAT family protein 0.0369 0.0819 0.0819
Brugia malayi MBOAT family protein 0.0369 0.0819 0.0819
Trichomonas vaginalis conserved hypothetical protein 0.0369 0.0819 1
Echinococcus granulosus sterol O acyltransferase 1 0.0369 0.0819 0.0819
Leishmania major glycerol uptake protein, putative 0.0369 0.0819 1
Schistosoma mansoni hypothetical protein 0.0052 0.0074 0.0074
Toxoplasma gondii hypothetical protein 0.0369 0.0819 1
Leishmania major glycerol uptake protein, putative 0.0369 0.0819 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0369 0.0819 0.0819
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0369 0.0819 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0369 0.0819 0.0819
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0369 0.0819 0.0819
Trypanosoma brucei glycerol uptake protein, putative 0.0369 0.0819 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0369 0.0819 1
Brugia malayi diacylglycerol acyltransferase 0.0369 0.0819 0.0819
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0369 0.0819 0.0819
Echinococcus multilocularis geminin 0.0205 0.0433 0.0433
Schistosoma mansoni hypothetical protein 0.0369 0.0819 0.0819
Trypanosoma cruzi glycerol uptake protein, putative 0.0369 0.0819 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0369 0.0819 0.0819
Trichomonas vaginalis porcupine, putative 0.0369 0.0819 1
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0369 0.0819 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0369 0.0819 0.0819
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0369 0.0819 1
Echinococcus granulosus geminin 0.0205 0.0433 0.0433
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0369 0.0819 0.0819
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0369 0.0819 0.0819
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0369 0.0819 0.0819

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1714 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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