Detailed information for compound 1583420

Basic information

Technical information
  • TDR Targets ID: 1583420
  • Name: N-[4-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl) ethylsulfamoyl]phenyl]acetamide
  • MW: 413.49 | Formula: C21H23N3O4S
  • H donors: 3 H acceptors: 5 LogP: 3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1cc2ccc(c(c2nc1O)C)C
  • InChi: 1S/C21H23N3O4S/c1-13-4-5-16-12-17(21(26)24-20(16)14(13)2)10-11-22-29(27,28)19-8-6-18(7-9-19)23-15(3)25/h4-9,12,22H,10-11H2,1-3H3,(H,23,25)(H,24,26)
  • InChiKey: SLZHCWONBWCAND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethylsulfamoyl]phenyl]acetamide
  • N-[4-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethylsulfamoyl]phenyl]ethanamide
  • ZINC04032971

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein 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
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
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Echinococcus multilocularis histone deacetylase 0.0406 0.0972 0.7523
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.002 0.0151
Plasmodium vivax histone deacetylase, putative 0.0211 0.0476 0.3683
Toxoplasma gondii histone deacetylase HDAC5 0.0211 0.0476 0.3683
Echinococcus multilocularis disco interacting protein 2 0.0037 0.0032 0.0247
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.005 0.0064 0.0498
Onchocerca volvulus 0.0032 0.002 0.0411
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0044 0.005 0.0388
Brugia malayi histone deacetylase 11 0.0211 0.0476 0.3683
Trypanosoma cruzi UDP-galactose 4-epimerase 0.005 0.0064 0.0498
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0044 0.005 0.0388
Loa Loa (eye worm) histone deacetylase 11 0.0211 0.0476 0.3683
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0044 0.005 0.0388
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0044 0.005 0.0388
Loa Loa (eye worm) hypothetical protein 0.0219 0.0496 0.384
Toxoplasma gondii histone deacetylase HDAC1 0.0406 0.0972 0.7523
Schistosoma mansoni UDP-glucose 4-epimerase 0.005 0.0064 0.0498
Onchocerca volvulus 0.0037 0.0032 0.067
Echinococcus granulosus histone deacetylase 6 0.043 0.1035 0.8011
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0044 0.005 0.0388
Plasmodium falciparum histone deacetylase, putative 0.0406 0.0972 0.7523
Loa Loa (eye worm) histone deacetylase 7A 0.0406 0.0972 0.7523
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0531 0.1293 1
Brugia malayi UDP galactose 4'-epimerase 0.005 0.0064 0.0498
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0531 0.1293 1
Loa Loa (eye worm) hypothetical protein 0.0531 0.1293 1
Echinococcus multilocularis histone deacetylase 6 0.0406 0.0972 0.7523
Toxoplasma gondii histone deacetylase HDAC3 0.0531 0.1293 1
Plasmodium vivax histone deacetylase 1, putative 0.0531 0.1293 1
Echinococcus granulosus histone deacetylase 0.0406 0.0972 0.7523
Schistosoma mansoni histone deacetylase hda2 0.0211 0.0476 0.3683
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0531 0.1293 1
Echinococcus multilocularis histone deacetylase 1 0.0531 0.1293 1
Brugia malayi histone deacetylase 1 (HD1) 0.0531 0.1293 1
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0044 0.005 0.0388
Toxoplasma gondii hypothetical protein 0.0082 0.0146 0.1126
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.005 0.0064 0.0498
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0044 0.005 0.0388
Schistosoma mansoni histone deacetylase 4 5 0.0406 0.0972 0.7523
Loa Loa (eye worm) hypothetical protein 0.0211 0.0476 0.3683
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0305 0.2359
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.3898 0.9887 1
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Brugia malayi histone deacetylase 3 (HD3) 0.0531 0.1293 1
Echinococcus granulosus UDP glucose 4 epimerase 0.005 0.0064 0.0498
Trypanosoma brucei histone deacetylase 1 0.0531 0.1293 1
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0044 0.005 0.0388
Leishmania major udp-glc 4-epimerase, putative 0.0048 0.006 0.0463
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0037 0.0032 0.0247
Loa Loa (eye worm) hypothetical protein 0.0194 0.0433 0.3352
Trypanosoma brucei UDP-galactose 4-epimerase 0.0048 0.006 0.0463
Echinococcus multilocularis histone deacetylase 6 0.043 0.1035 0.8011
Leishmania major histone deacetylase, putative 0.0406 0.0972 0.7523
Echinococcus granulosus histone deacetylase 3 0.0531 0.1293 1
Plasmodium falciparum histone deacetylase 1 0.0531 0.1293 1
Trypanosoma cruzi histone deacetylase, putative 0.0211 0.0476 0.3683
Trypanosoma brucei histone deacetylase 2 0.0211 0.0476 0.3683
Schistosoma mansoni cpg binding protein 0.0032 0.002 0.0151
Trypanosoma cruzi histone deacetylase 1, putative 0.0531 0.1293 1
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0044 0.005 0.0388
Echinococcus multilocularis histone deacetylase 3 0.0531 0.1293 1
Echinococcus granulosus histone deacetylase 6 0.0406 0.0972 0.7523
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0044 0.005 0.0388
Echinococcus granulosus histone deacetylase 6 0.0406 0.0972 0.7523
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0044 0.005 0.0388
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.005 0.0064 0.0498
Schistosoma mansoni histone deacetylase hda2 0.043 0.1035 0.8011
Trypanosoma cruzi histone deacetylase, putative 0.0406 0.0972 0.7523
Leishmania major histone deacetylase, putative 0.0531 0.1293 1
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0044 0.005 0.0388
Brugia malayi CXXC zinc finger family protein 0.0032 0.002 0.0151
Brugia malayi Disco-interacting protein 2 homolog 0.0037 0.0032 0.0247
Schistosoma mansoni cpg binding protein 0.0032 0.002 0.0151
Trypanosoma brucei histone deacetylase 4 0.0406 0.0972 0.7523
Loa Loa (eye worm) histone deacetylase 3 0.0531 0.1293 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0305 0.2359
Echinococcus granulosus cpg binding protein 0.0032 0.002 0.0151
Trypanosoma brucei histone deacetylase 3 0.0406 0.0972 0.7523
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0247
Echinococcus granulosus disco interacting protein 2 0.0037 0.0032 0.0247
Giardia lamblia UDP-glucose 4-epimerase 0.0048 0.006 0.0463
Brugia malayi MH2 domain containing protein 0.0144 0.0305 0.2359
Giardia lamblia Histone deacetylase 0.0531 0.1293 1
Trypanosoma cruzi histone deacetylase, putative 0.0211 0.0476 0.3683
Trypanosoma cruzi histone deacetylase, putative 0.0406 0.0972 0.7523
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.005 0.0064 0.0498
Toxoplasma gondii UDP-glucose 4-epimerase 0.005 0.0064 0.0498
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0044 0.005 0.0388
Brugia malayi Histone deacetylase 1 0.0531 0.1293 1
Entamoeba histolytica histone deacetylase, putative 0.0531 0.1293 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0211 0.0476 0.3683
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.005 0.0064 0.0498
Echinococcus multilocularis histone deacetylase 7 0.0406 0.0972 0.7523
Echinococcus multilocularis histone deacetylase 6 0.0406 0.0972 0.7523
Echinococcus granulosus histone deacetylase 7 0.0406 0.0972 0.7523
Plasmodium vivax histone deacetylase 2, putative 0.0406 0.0972 0.7523
Loa Loa (eye worm) histone deacetylase 1 0.0531 0.1293 1
Trypanosoma cruzi histone deacetylase, putative 0.0406 0.0972 0.7523
Loa Loa (eye worm) histone deacetylase 0.0406 0.0972 0.7523
Echinococcus granulosus histone deacetylase 1 0.0531 0.1293 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.005 0.0064 0.0498
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.3942 1 1
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0044 0.005 0.0388
Echinococcus granulosus histone deacetylase 8 0.0211 0.0476 0.3683
Brugia malayi Histone deacetylase family protein 0.0406 0.0972 0.7523
Brugia malayi Histone deacetylase family protein 0.0406 0.0972 0.7523
Plasmodium vivax histone deacetylase, putative 0.0406 0.0972 0.7523
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0082 0.0146 0.1126
Trypanosoma cruzi histone deacetylase 1, putative 0.0531 0.1293 1
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Leishmania major histone deacetylase, putative 0.0531 0.1293 1
Echinococcus multilocularis cpg binding protein 0.0032 0.002 0.0151
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0044 0.005 0.0388
Toxoplasma gondii histone deacetylase HDAC4 0.0211 0.0476 0.3683
Schistosoma mansoni histone deacetylase 4 5 0.0406 0.0972 0.7523
Trypanosoma brucei histone deacetylase, putative 0.0406 0.0972 0.7523
Schistosoma mansoni histone deacetylase 0.0531 0.1293 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0044 0.005 0.0388
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.005 0.0064 0.0498
Toxoplasma gondii histone deacetylase HDAC2 0.0531 0.1293 1
Trichomonas vaginalis histone deacetylase, putative 0.0531 0.1293 1
Schistosoma mansoni histone deacetylase 0.0531 0.1293 1
Echinococcus multilocularis histone deacetylase 8 0.0211 0.0476 0.3683
Plasmodium falciparum histone deacetylase 2 0.0406 0.0972 0.7523
Leishmania major histone deacetylase, putative 0.0406 0.0972 0.7523
Onchocerca volvulus Histone deacetylase 10 homolog 0.0211 0.0476 1
Schistosoma mansoni cpg binding protein 0.0032 0.002 0.0151

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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