Detailed information for compound 829123

Basic information

Technical information
  • TDR Targets ID: 829123
  • Name: N-(2-ethylphenyl)-1-methylsulfonyl-3,4-dihydr o-2H-quinoline-6-carboxamide
  • MW: 358.455 | Formula: C19H22N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C
  • InChi: 1S/C19H22N2O3S/c1-3-14-7-4-5-9-17(14)20-19(22)16-10-11-18-15(13-16)8-6-12-21(18)25(2,23)24/h4-5,7,9-11,13H,3,6,8,12H2,1-2H3,(H,20,22)
  • InChiKey: RYIAVSIMLSMKFU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-ethylphenyl)-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide
  • T6003404
  • ZINC06767094
  • D256-0736
  • NCGC00117741-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A 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
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781

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
Loa Loa (eye worm) hypothetical protein 0.0049 0.0578 0.2226
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0501 0.1932
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0165 0.2347 0.5664
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0691 0.2868
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0691 0.2868
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0691 0.1667
Plasmodium falciparum small ubiquitin-related modifier 0.003 0.0294 0.1158
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0012 0.0025 0.0095
Echinococcus granulosus CTD small phosphatase protein like 0.0012 0.0025 0.0025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Trichomonas vaginalis dullard protein, putative 0.0012 0.0025 0.006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0501 0.048
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0165 0.2347 0.5194
Brugia malayi Phosphoglycerate kinase 0.0061 0.0762 0.2935
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0061 0.0762 0.3173
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0501 0.121
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0165 0.2347 1
Plasmodium falciparum phosphoglycerate kinase 0.0165 0.2347 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Mycobacterium ulcerans phosphoglycerate kinase 0.0165 0.2347 0.8815
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0182 0.2595 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0439 0.0439
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0691 0.2868
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0165 0.2347 1
Trypanosoma brucei phosphoglycerate kinase 0.0061 0.0762 0.3173
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Brugia malayi beta-lactamase 0.0043 0.0501 0.1932
Onchocerca volvulus 0.0043 0.0501 0.1932
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0439 0.0439
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0361 0.034
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0501 0.2053
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0271 0.1061
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0501 0.121
Leishmania major hypothetical protein, conserved 0.0056 0.0691 0.2868
Trichomonas vaginalis dullard protein, putative 0.0012 0.0025 0.006
Giardia lamblia PHD finger protein 15 0.0028 0.0271 0.0598
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2029 0.7816
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0165 0.2347 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0165 0.2347 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0501 0.2053
Plasmodium falciparum phd finger protein, putative 0.0028 0.0271 0.1061
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.2595 0.6263
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0012 0.0025 0.0025
Leishmania major hypothetical protein, conserved 0.0043 0.0501 0.2053
Schistosoma mansoni phosphoglycerate kinase 0.0165 0.2347 0.233
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0501 0.0501
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4055 1
Echinococcus granulosus Small ubiquitin modifier 2 0.003 0.0294 0.0294
Plasmodium vivax phosphoglycerate kinase, putative 0.0165 0.2347 1
Leishmania major phosphoglycerate kinase C, glycosomal 0.0165 0.2347 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2029 0.7816
Giardia lamblia Sentrin 0.003 0.0294 0.0653
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4144 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2422 0.2422
Loa Loa (eye worm) acetyltransferase 0.0175 0.2497 0.962
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0558 0.1346
Loa Loa (eye worm) hypothetical protein 0.0028 0.0271 0.1045
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0271 0.1045
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0623 0.0623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0691 0.1667
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0025 0.006
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0501 0.0501
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0501 0.2053
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0501 0.121
Brugia malayi beta-lactamase family protein 0.0043 0.0501 0.1932
Brugia malayi PHD-finger family protein 0.0028 0.0271 0.1045
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1944 0.4059
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0025 0.006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0086
Schistosoma mansoni hypothetical protein 0.0028 0.0271 0.0249
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2497 0.248
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0025 0.006
Onchocerca volvulus 0.0043 0.0501 0.1932
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0294 0.1158
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0623 0.2575
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0623 0.2575
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0501 0.2053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2497 0.2497
Giardia lamblia Phosphoglycerate kinase 0.0165 0.2347 0.5638
Brugia malayi Phosphoglycerate kinase 0.0165 0.2347 0.9044
Brugia malayi Ubiquitin-like protein SMT3 0.003 0.0294 0.1131
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.1747 0.3504
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0501 0.121
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1944 0.7813
Entamoeba histolytica phosphoglycerate kinase, putative 0.0165 0.2347 0.5664
Toxoplasma gondii ABC1 family protein 0.0043 0.0501 0.2053
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0501 0.121
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0182 0.2595 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0361 0.034
Leishmania major small ubiquitin protein, putative 0.003 0.0294 0.1158
Trypanosoma brucei phosphoglycerate kinase 0.0165 0.2347 1
Echinococcus granulosus peregrin 0.0033 0.0336 0.0336
Brugia malayi beta-lactamase family protein 0.0043 0.0501 0.1932
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0271 0.1061
Trypanosoma brucei phosphoglycerate kinase 0.0165 0.2347 1
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0271 0.0249
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0361 0.1393
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0361 0.0361
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0361 0.0361
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.4144 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0165 0.2347 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4144 1
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0025 0.0002
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0271 0.1061
Echinococcus granulosus phosphoglycerate kinase 1 0.0165 0.2347 0.2347
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.4144 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0623 0.2575
Brugia malayi Bromodomain containing protein 0.0033 0.0336 0.1295
Onchocerca volvulus 0.0182 0.2595 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0165 0.2347 0.2347
Brugia malayi jmjC domain containing protein 0.0034 0.0361 0.1393
Brugia malayi MH2 domain containing protein 0.0144 0.2029 0.7816
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.2595 0.6263
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1248 0.1248
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0501 0.1932
Trichomonas vaginalis esterase, putative 0.0043 0.0501 0.121
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.2595 0.6263
Onchocerca volvulus 0.0043 0.0501 0.1932
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.2595 0.6263
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0012 0.0025 0.006
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.003 0.0294 0.0272
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Entamoeba histolytica ubiquitin like protein 0.003 0.0294 0.0708
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0959 0.0938
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.2595 0.6263
Chlamydia trachomatis phosphoglycerate kinase 0.0165 0.2347 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.2595 0.6263
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Brugia malayi jmjC domain containing protein 0.0093 0.1248 0.4807
Trypanosoma brucei small ubiquitin-related modifier 0.003 0.0294 0.1158
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0558 0.1294
Echinococcus multilocularis Small ubiquitin modifier 2 0.003 0.0294 0.0294
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0182 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0095
Toxoplasma gondii small ubiquitin family modifier, putative 0.003 0.0294 0.1158
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1944 0.6888
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0271 0.0271
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0728 0.2805
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0025 0.006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0501 0.048
Echinococcus multilocularis 0.0012 0.0025 0.0025
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.2595 0.6263
Onchocerca volvulus Alhambra homolog 0.0028 0.0271 0.1045
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1248 0.1248
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0012 0.0025 0.0025
Loa Loa (eye worm) SMO-1 protein 0.003 0.0294 0.1131
Schistosoma mansoni phosphoglycerate kinase 0.0165 0.2347 0.233
Loa Loa (eye worm) hypothetical protein 0.0165 0.2347 0.9044
Plasmodium vivax small ubiquitin-related modifier, putative 0.003 0.0294 0.1158
Loa Loa (eye worm) beta-lactamase 0.0043 0.0501 0.1932
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0182 0.2595 0.624
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0623 0.1503
Echinococcus multilocularis peregrin 0.0033 0.0336 0.0336
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0271 0.0271
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0025 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0501 0.1932
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0165 0.2347 0.5664
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2497 0.962
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0294 0.1158
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0165 0.2347 0.5
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0294 0.0708
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0558 0.2295
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0623 0.1503
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0165 0.2347 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.2595 0.6263
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4144 1
Trypanosoma brucei phosphoglycerate kinase, putative 0.0061 0.0762 0.3173
Trichomonas vaginalis dullard protein, putative 0.0012 0.0025 0.006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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