Detailed information for compound 647884

Basic information

Technical information
  • TDR Targets ID: 647884
  • Name: 2-[(4-bromophenyl)-methylsulfonylamino]-N-[(4 -methoxyphenyl)methyl]acetamide
  • MW: 427.313 | Formula: C17H19BrN2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)CN(S(=O)(=O)C)c1ccc(cc1)Br
  • InChi: 1S/C17H19BrN2O4S/c1-24-16-9-3-13(4-10-16)11-19-17(21)12-20(25(2,22)23)15-7-5-14(18)6-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)
  • InChiKey: MTGFKZUMGZANAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[(4-methoxyphenyl)methyl]acetamide
  • 2-[(4-bromophenyl)-mesyl-amino]-N-(4-methoxybenzyl)acetamide
  • 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[(4-methoxyphenyl)methyl]ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0098 0.5466 0.5278
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3308 0.3308
Loa Loa (eye worm) acetyltransferase 0.0169 1 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.1535 0.1583
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.1566 0.1615
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.2366 0.244
Echinococcus multilocularis GPCR, family 2 0.0031 0.1173 0.1173
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0397 0.0772
Loa Loa (eye worm) hypothetical protein 0.0034 0.1325 0.0966
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0397 0.0397
Schistosoma mansoni DNA polymerase eta 0.0019 0.0397 0.0397
Loa Loa (eye worm) RNA binding protein 0.0065 0.3308 0.3032
Schistosoma mansoni transient receptor potential channel 4 0.0099 0.5502 0.5502
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3308 0.3308
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.3364 0.3364
Echinococcus granulosus transient receptor potential ion channel A 0.0096 0.5292 0.5457
Brugia malayi MH2 domain containing protein 0.0117 0.6653 0.6653
Trypanosoma brucei unspecified product 0.0019 0.0397 0.2586
Echinococcus granulosus dna polymerase kappa 0.0019 0.0397 0.0409
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Schistosoma mansoni hypothetical protein 0.0067 0.3479 0.3479
Echinococcus granulosus GPCR family 2 0.0031 0.1173 0.121
Loa Loa (eye worm) hypothetical protein 0.0031 0.1173 0.0808
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1534 0.2985
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0397 0.2586
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.2101 1
Schistosoma mansoni hypothetical protein 0.0031 0.1173 0.1173
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3308 0.3308
Echinococcus granulosus transient receptor potential gamma protein 0.0099 0.5502 0.5674
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.4542 0.8837
Loa Loa (eye worm) glutathione reductase 0.0037 0.1534 0.1184
Echinococcus multilocularis dna polymerase eta 0.0019 0.0397 0.0397
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.4542 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.4542 0.8837
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.2366 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3153 0.287
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0021 0.0138
Plasmodium falciparum glutathione reductase 0.0037 0.1534 0.7301
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.6653 0.6515
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1173 0.1173
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.5466 0.5466
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0397 0.0397
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3308 0.3308
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0397 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3308 0.3308
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.514 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0397 0.0397
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0397 0.0409
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.514 1
Brugia malayi TAR-binding protein 0.0065 0.3308 0.3308
Leishmania major DNA polymerase eta, putative 0.0019 0.0397 0.2586
Loa Loa (eye worm) hypothetical protein 0.0067 0.3479 0.3209
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Echinococcus granulosus dna polymerase eta 0.0019 0.0397 0.0409
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0397 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1535 0.1186
Brugia malayi glutathione reductase 0.0037 0.1534 0.1534
Trypanosoma brucei trypanothione reductase 0.0037 0.1534 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0397 0.1677
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0397 0.2586
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.4542 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Schistosoma mansoni hypothetical protein 0.0031 0.1173 0.1173
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.1566 0.1566
Schistosoma mansoni transient receptor potential channel 0.0065 0.3364 0.3364
Giardia lamblia DINP protein human, muc B family 0.0019 0.0397 0.1888
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0397 0.2586
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.5466 0.5278
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0397 0.0397
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1173 0.0808
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.514 1
Schistosoma mansoni transient receptor potential channel 0.0099 0.5502 0.5502
Plasmodium vivax glutathione reductase, putative 0.0037 0.1534 0.6484
Brugia malayi Transient-receptor-potential like protein 0.0037 0.1535 0.1535
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.2101 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3308 0.3308
Mycobacterium tuberculosis Probable reductase 0.0084 0.4542 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.4542 0.8837
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3308 0.3032
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.2366 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0021 0.0138
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.5466 0.5466
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Treponema pallidum NADH oxidase 0.0013 0 0.5
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.1535 0.1535
Echinococcus granulosus tar DNA binding protein 0.0065 0.3308 0.3412
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1534 0.1184
Schistosoma mansoni hypothetical protein 0.0031 0.1173 0.1173
Echinococcus multilocularis transient receptor potential ion channel A 0.0096 0.5292 0.5292
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.6653 0.6515
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.514 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.2366 1
Brugia malayi RNA binding protein 0.0065 0.3308 0.3308
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1173 0.1173
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.2101 1
Schistosoma mansoni transient receptor potential channel 0.0065 0.3364 0.3364
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0397 0.2586
Plasmodium falciparum thioredoxin reductase 0.0037 0.1534 0.7301
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0397 0.1677
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3308 0.3308
Trypanosoma brucei unspecified product 0.0013 0.0021 0.0138
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.2366 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.2366 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0397 0.2586
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1173 0.1173
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0397 0.2586
Brugia malayi Thioredoxin reductase 0.0037 0.1534 0.1534
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Trypanosoma brucei unspecified product 0.0013 0.0021 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0397 0.0397
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1173 0.121
Leishmania major trypanothione reductase 0.0037 0.1534 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.3364 0.3469
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.3479 0.3479
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0099 0.5502 0.5316
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1173 0.1173
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0021 0.0138
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1534 0.6484
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.3364 0.3469
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0397 0.0772
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.3364 0.3364
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1534 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1173 0.121
Toxoplasma gondii thioredoxin reductase 0.0037 0.1534 0.6484
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0397 0.2586
Schistosoma mansoni hypothetical protein 0.0031 0.1173 0.1173
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.9697 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3308 0.3032
Echinococcus multilocularis transient receptor potential gamma protein 0.0099 0.5502 0.5502

Activities

No activities found for this compound.

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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