Detailed information for compound 804007

Basic information

Technical information
  • TDR Targets ID: 804007
  • Name: methyl 4-[[2-[methyl-[(2-oxo-3,4-dihydro-1H-q uinolin-6-yl)sulfonyl]amino]acetyl]amino]benz oate
  • MW: 431.462 | Formula: C20H21N3O6S
  • H donors: 2 H acceptors: 5 LogP: 0.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C
  • InChi: 1S/C20H21N3O6S/c1-23(12-19(25)21-15-6-3-13(4-7-15)20(26)29-2)30(27,28)16-8-9-17-14(11-16)5-10-18(24)22-17/h3-4,6-9,11H,5,10,12H2,1-2H3,(H,21,25)(H,22,24)
  • InChiKey: GFCIYTQKWVGKAU-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester
  • 4-[[2-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid methyl ester
  • methyl 4-[2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]ethanoylamino]benzoate

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
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0132 0.0879 0.0873
Schistosoma mansoni jumonji domain containing protein 0.0085 0.0518 0.0511
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0283 0.3159
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0187 0.1307 0.1301
Trichomonas vaginalis ankyrin, putative 0.002 0.0014 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.01 0.0101
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.002 0.0013 0.0016
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.0688 0.0689
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0132 0.0879 0.088
Trypanosoma brucei trypanothione reductase 0.0054 0.0283 0.212
Onchocerca volvulus 0.0116 0.0757 0.0728
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0076 0.0076
Plasmodium vivax glutathione reductase, putative 0.0054 0.0283 0.3159
Echinococcus granulosus lamin 0.0058 0.0307 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0757 0.0953
Loa Loa (eye worm) hypothetical protein 0.0116 0.0757 0.0817
Schistosoma mansoni hypothetical protein 0.0116 0.0757 0.075
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0283 0.0295
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.002 0.0013 0.0016
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0007 0.0007
Brugia malayi hypothetical protein 0.0116 0.0757 0.0767
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0187 0.1307 0.1309
Loa Loa (eye worm) hypothetical protein 0.0028 0.0076 0.0068
Echinococcus multilocularis peregrin 0.0033 0.0113 0.0114
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0116 0.0757 0.5768
Giardia lamblia PHD finger protein 15 0.0033 0.0113 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0116 0.0757 0.0817
Brugia malayi Liprin-alpha 2 0.0116 0.0757 0.0767
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0187 0.1307 1
Onchocerca volvulus 0.0116 0.0757 0.0728
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Plasmodium falciparum thioredoxin reductase 0.0054 0.0283 0.3674
Loa Loa (eye worm) glutathione reductase 0.0054 0.0283 0.0295
Brugia malayi jmjC domain containing protein 0.0107 0.0688 0.0696
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0166 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0757 0.0953
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0007 0.0009
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0007 0.5
Schistosoma mansoni ankyrin 23/unc44 0.002 0.0013 0.0006
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0132 0.0879 0.088
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0116 0.0757 0.0817
Brugia malayi Pre-SET motif family protein 0.0132 0.0879 0.089
Trichomonas vaginalis unc-44 ankyrins, putative 0.002 0.0013 0.0016
Trichomonas vaginalis ankyrin repeat and FYVE domain containing protein, putative 0.002 0.0013 0.0016
Schistosoma mansoni hypothetical protein 0.0116 0.0757 0.075
Trichomonas vaginalis set domain proteins, putative 0.1044 0.7941 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0187 0.1307 0.1309
Schistosoma mansoni hypothetical protein 0.0116 0.0757 0.075
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.002 0.0013 0.0013
Leishmania major huntingtin interacting protein (HIP), putative 0.002 0.0013 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0132 0.0879 0.0873
Toxoplasma gondii thioredoxin reductase 0.0054 0.0283 0.212
Treponema pallidum NADH oxidase 0.0019 0.0007 0.5
Onchocerca volvulus 0.0058 0.0307 0.0219
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0187 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0059
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Plasmodium falciparum protein kinase, putative 0.0116 0.0757 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0187 0.1307 1
Schistosoma mansoni hypothetical protein 0.0033 0.0113 0.0106
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0116 0.0757 0.0758
Loa Loa (eye worm) hypothetical protein 0.0103 0.0661 0.0712
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0307 0.0311
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0283 0.212
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0187 0.1307 0.1309
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.0688 0.0689
Brugia malayi jmjC domain containing protein 0.0039 0.0166 0.0169
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0757 0.0953
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0113 0.0114
Entamoeba histolytica hypothetical protein 0.0187 0.1307 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0283 0.2985
Loa Loa (eye worm) hypothetical protein 0.0116 0.0757 0.0817
Plasmodium vivax SET domain protein, putative 0.0132 0.0879 1
Trichomonas vaginalis multiple ankyrin repeats single kh domain protein, putative 0.002 0.0013 0.0016
Brugia malayi Patatin-like phospholipase family protein 0.002 0.0013 0.0013
Trichomonas vaginalis ion channel nompc, putative 0.002 0.0013 0.0016
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0382 0.0405
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0166 0.0167
Brugia malayi intermediate filament protein 0.0058 0.0307 0.0311
Loa Loa (eye worm) hypothetical protein 0.0057 0.0299 0.0313
Echinococcus multilocularis tumor protein p63 0.0706 0.5329 0.5336
Brugia malayi Neurabin protein 1 0.0116 0.0757 0.0767
Loa Loa (eye worm) hypothetical protein 0.0116 0.0757 0.0817
Loa Loa (eye worm) hypothetical protein 0.0132 0.0879 0.0952
Trypanosoma cruzi palmitoyl acyltransferase 1, putative 0.002 0.0013 0.0044
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0022 0.0028 0.0036
Trypanosoma cruzi palmitoyl acyltransferase 1, putative 0.002 0.0013 0.0044
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0212 0.0212
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.002 0.0013 0.0016
Onchocerca volvulus 0.0103 0.0661 0.062
Brugia malayi glutathione reductase 0.0054 0.0283 0.0286
Trypanosoma brucei palmitoyl acyltransferase 1, putative 0.002 0.0013 0.0044
Echinococcus granulosus SAM domain containing protein 0.0116 0.0757 0.0758
Schistosoma mansoni sarm1 0.0116 0.0757 0.075
Echinococcus granulosus tumor protein p63 0.0706 0.5329 0.5336
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0059
Echinococcus multilocularis liprin beta 1 0.0116 0.0757 0.0758
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0014 0.0018
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.0823 0.8837
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Schistosoma mansoni cellular tumor antigen P53 0.0103 0.0661 0.0655
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0116 0.0757 0.075
Schistosoma mansoni lamin 0.0058 0.0307 0.03
Brugia malayi hypothetical protein 0.0116 0.0757 0.0767
Entamoeba histolytica hypothetical protein 0.0187 0.1307 0.5
Entamoeba histolytica hypothetical protein 0.0187 0.1307 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0917 0.696 0.7643
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0116 0.0757 0.0758
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0283 0.0283
Echinococcus multilocularis lamin dm0 0.0058 0.0307 0.0307
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0187 0.1307 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0113 0.0818
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0007 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0113 0.0818
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.0823 0.8837
Loa Loa (eye worm) tnks protein 0.1194 0.9103 1
Trichomonas vaginalis 2-5A-dependent ribonuclease, putative 0.002 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0989 0.7519 0.8257
Echinococcus multilocularis tankyrase 0.1308 0.9986 1
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0307 0.0322
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0166 0.016
Trichomonas vaginalis protein phosphatase 1 regulatory subunit 12C, putative 0.002 0.0013 0.0016
Plasmodium falciparum phd finger protein, putative 0.0033 0.0113 0.1417
Entamoeba histolytica hypothetical protein 0.0187 0.1307 0.5
Echinococcus multilocularis SAM domain containing protein 0.0116 0.0757 0.0758
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0127 0.0842 0.0843
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0113 0.0114
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.093 1
Brugia malayi Tnks protein 0.1293 0.9875 1
Plasmodium falciparum tyrosine kinase-like protein 0.0116 0.0757 1
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Echinococcus granulosus liprin beta 1 0.0116 0.0757 0.0758
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.093 1
Onchocerca volvulus Tankyrase homolog 0.1174 0.8951 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0187 0.1307 0.1423
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0116 0.0757 0.0767
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.0823 0.8837
Giardia lamblia Kinase, NEK 0.002 0.0013 0.0534
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Brugia malayi Pre-SET motif family protein 0.0917 0.696 0.7048
Leishmania major trypanothione reductase 0.0054 0.0283 1
Echinococcus granulosus Ankyrin 0.002 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0113 0.0109
Loa Loa (eye worm) hypothetical protein 0.0033 0.0113 0.0109
Schistosoma mansoni hypothetical protein 0.0116 0.0757 0.075
Brugia malayi WGR domain containing protein 0.0187 0.1307 0.1324
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0132 0.0879 0.0873
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0116 0.0757 0.0953
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0307
Trichomonas vaginalis ankyrin, putative 0.002 0.0013 0.0016
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0007 0.0007
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0007 0.5
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.002 0.0013 0.0013
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.01 0.0094
Schistosoma mansoni lamin 0.0058 0.0307 0.03
Echinococcus granulosus lamin dm0 0.0058 0.0307 0.0307
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.002 0.0013 0.0016
Entamoeba histolytica zinc finger protein, putative 0.0187 0.1307 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0007 0.5
Onchocerca volvulus 0.0132 0.0879 0.0867
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0113 0.1219
Brugia malayi PHD-finger family protein 0.0033 0.0113 0.0115
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Giardia lamblia Kinase, NEK 0.002 0.0013 0.0534
Schistosoma mansoni lip-related protein (liprin) alpha 0.0116 0.0757 0.075
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0757 0.0953
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0307 0.0322
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0132 0.0879 0.0873
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.0823 0.8837
Mycobacterium tuberculosis Probable reductase 0.0124 0.0823 0.8837
Trichomonas vaginalis unc-44 ankyrins, putative 0.002 0.0013 0.0016
Onchocerca volvulus 0.1045 0.7955 0.8873
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0283 0.0283
Onchocerca volvulus 0.0058 0.0307 0.0219
Plasmodium falciparum glutathione reductase 0.0054 0.0283 0.3674
Echinococcus multilocularis Ankyrin 0.002 0.0014 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0166 0.016
Brugia malayi Bromodomain containing protein 0.0033 0.0113 0.0115
Echinococcus granulosus tankyrase 0.1308 0.9986 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0132 0.0879 0.6709
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0187 0.1307 1
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0007 0.0009
Brugia malayi Thioredoxin reductase 0.0054 0.0283 0.0286
Echinococcus granulosus poly ADP ribose polymerase 1 0.0187 0.1307 0.1309
Brugia malayi WGR domain containing protein 0.0187 0.1307 0.1324
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0187 0.1307 0.1309
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0007 0.5
Echinococcus multilocularis stromal interaction molecule 1 0.0116 0.0757 0.0758
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.0823 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.093 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0113 0.0106
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0007 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0166 0.0168
Loa Loa (eye worm) hypothetical protein 0.0187 0.1307 0.1423
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Echinococcus granulosus histone lysine methyltransferase setb 0.0132 0.0879 0.088
Loa Loa (eye worm) hypothetical protein 0.0116 0.0757 0.0817
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.093 1
Echinococcus granulosus stromal interaction molecule 1 0.0116 0.0757 0.0758
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0014 0.0018
Brugia malayi coiled-coil like protein 1 0.0116 0.0757 0.0767
Echinococcus multilocularis lamin 0.0058 0.0307 0.0307
Echinococcus multilocularis liprin alpha 2 0.0116 0.0757 0.0758
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0187 0.1307 0.1301
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0076 0.0076
Echinococcus multilocularis musashi 0.0058 0.0307 0.0307
Schistosoma mansoni intermediate filament proteins 0.0058 0.0307 0.03
Plasmodium vivax tyrosine kinase-like protein, putative 0.0116 0.0757 0.8598
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.1307 0.1646
Loa Loa (eye worm) hypothetical protein 0.0058 0.0307 0.0322
Echinococcus granulosus peregrin 0.0033 0.0113 0.0114
Echinococcus granulosus Sterile alpha motif SAM 0.0116 0.0757 0.0758
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0007 0.0007
Echinococcus granulosus liprin alpha 2 0.0116 0.0757 0.0758
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.002 0.0013 0.0016
Echinococcus granulosus intermediate filament protein 0.0058 0.0307 0.0307

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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