Detailed information for compound 1311795

Basic information

Technical information
  • TDR Targets ID: 1311795
  • Name: 4-ethoxy-N-methyl-N-[4-(2-morpholin-4-yl-2-ox oethoxy)phenyl]benzenesulfonamide
  • MW: 434.506 | Formula: C21H26N2O6S
  • H donors: 0 H acceptors: 3 LogP: 2.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)OCC(=O)N1CCOCC1)C
  • InChi: 1S/C21H26N2O6S/c1-3-28-18-8-10-20(11-9-18)30(25,26)22(2)17-4-6-19(7-5-17)29-16-21(24)23-12-14-27-15-13-23/h4-11H,3,12-16H2,1-2H3
  • InChiKey: SAWZMQGXPKFEDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-ethoxy-N-methyl-N-[4-(2-morpholino-2-oxo-ethoxy)phenyl]benzenesulfonamide
  • 4-ethoxy-N-methyl-N-[4-(2-morpholino-2-oxoethoxy)phenyl]benzenesulfonamide
  • 4-ethoxy-N-[4-(2-keto-2-morpholino-ethoxy)phenyl]-N-methyl-benzenesulfonamide
  • 4-ethoxy-N-methyl-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)phenyl]benzenesulfonamide
  • ZINC03215995
  • MLS000536684
  • SMR000155624
  • Oprea1_762649
  • T0505-6726

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B 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_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia hypothetical protein 0.006 0.0423 0.5
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.006 0.0423 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0042 0.0191 0.3305
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.006 0.0423 0.0423
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.006 0.0423 0.7321
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0804 1 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0042 0.0191 0.3305
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.006 0.0423 0.7321
Loa Loa (eye worm) hypothetical protein 0.0046 0.0246 0.0056
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.006 0.0423 0.7321
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.006 0.0423 0.7321
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.006 0.0423 0.0423
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Brugia malayi hypothetical protein 0.0042 0.0191 0.0155
Loa Loa (eye worm) hypothetical protein 0.0744 0.9227 0.9212
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Plasmodium vivax phosphodiesterase gamma, putative 0.006 0.0423 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.006 0.0423 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0042 0.0191 0.3305
Schistosoma mansoni aryl hydrocarbon receptor 0.0042 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.006 0.0423 0.0236
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0577 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.006 0.0423 0.7321
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0042 0.0191 0.3305
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.006 0.0423 0.7321
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Giardia lamblia Hypothetical protein 0.006 0.0423 0.5
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.006 0.0423 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0804 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.006 0.0423 0.7321
Mycobacterium leprae Possible regulatory protein 0.0042 0.0191 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.006 0.0423 0.7321
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Plasmodium falciparum phosphodiesterase delta, putative 0.006 0.0423 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0744 0.9227 0.9212
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.006 0.0423 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Onchocerca volvulus 0.0042 0.0191 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0633 0.0633
Plasmodium falciparum cGMP-specific phosphodiesterase 0.006 0.0423 0.5
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.006 0.0423 0.7321
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0208 0.3603
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0744 0.9227 0.9212
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0804 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0749 0.0569
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.006 0.0423 0.7321
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0423 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.006 0.0423 0.0387
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.006 0.0423 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.006 0.0423 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.006 0.0423 0.0387
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.006 0.0423 0.7321
Leishmania major hypothetical protein, conserved 0.006 0.0423 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.006 0.0423 0.7321
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Leishmania major hypothetical protein, conserved 0.006 0.0423 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Brugia malayi PAS domain containing protein 0.0042 0.0191 0.0155
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0423 0.0236
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.006 0.0423 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Trypanosoma brucei hypothetical protein, conserved 0.006 0.0423 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Brugia malayi Bromodomain containing protein 0.0046 0.0245 0.0209
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0208 0.3603
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.006 0.0423 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.006 0.0423 0.7321
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0577 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.006 0.0423 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.006 0.0423 0.0387
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.006 0.0423 1
Leishmania major cAMP-specific phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Loa Loa (eye worm) PDE1B protein 0.006 0.0423 0.0236
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0283 0.0094
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.006 0.0423 0.7321
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0423 0.0236
Brugia malayi Bromodomain containing protein 0.0091 0.0815 0.0781
Plasmodium falciparum phosphodiesterase gamma, putative 0.006 0.0423 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0312 0.0124
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.006 0.0423 0.0387
Schistosoma mansoni single-minded 0.0042 0.0191 0.0191
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.006 0.0423 0.7321
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.006 0.0423 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.006 0.0423 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0042 0.0191 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.006 0.0423 0.0387
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.006 0.0423 0.0423
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.006 0.0423 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.006 0.0423 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.006 0.0423 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0.0423 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.006 0.0423 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.006 0.0423 0.7321

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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 (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.