Detailed information for compound 1278016

Basic information

Technical information
  • TDR Targets ID: 1278016
  • Name: methyl 2-[(3-methyl-4-oxido-2-oxoquinoxalin-4 -ium-1-yl)oxymethyl]benzoate
  • MW: 340.33 | Formula: C18H16N2O5
  • H donors: 0 H acceptors: 3 LogP: 1.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1COn1c(=O)c(C)[n+](c2c1cccc2)[O-]
  • InChi: 1S/C18H16N2O5/c1-12-17(21)20(16-10-6-5-9-15(16)19(12)23)25-11-13-7-3-4-8-14(13)18(22)24-2/h3-10H,11H2,1-2H3
  • InChiKey: WUEFYBKWYLRPAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-[(3-methyl-4-oxido-2-oxo-quinoxalin-4-ium-1-yl)oxymethyl]benzoate
  • 2-[(3-methyl-4-oxido-2-oxo-1-quinoxalin-4-iumyl)oxymethyl]benzoic acid methyl ester
  • 2-[(2-keto-3-methyl-4-oxido-quinoxalin-4-ium-1-yl)oxymethyl]benzoic acid methyl ester
  • MLS000063788
  • SMR000075602
  • methyl 2-{[(3-methyl-4-oxido-2-oxo-1(2H)-quinoxalinyl)oxy]methyl}benzoate
  • ZINC00619415

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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 hypothetical protein 0.063 0.5559 0.5559
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0279 0.6382
Echinococcus multilocularis survival motor neuron protein 1 0.0708 0.6287 0.8834
Entamoeba histolytica hypothetical protein 0.0048 0.0176 0.0459
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.1894 0.1894
Brugia malayi hypothetical protein 0.0708 0.6287 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0388 0.0866
Schistosoma mansoni hypothetical protein 0.0032 0.0028 0.0028
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0176 0.0283
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0091 0.089
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0043 0.0135 0.2458
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0043 0.0135 0.2458
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0666 0.1018
Brugia malayi RNA binding protein 0.0064 0.0328 0.0522
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.006 0.0286 0.5203
Echinococcus granulosus snurportin 1 0.063 0.5559 0.8837
Echinococcus granulosus jumonji domain containing 1A 0.0035 0.0057 0.0046
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0145 0.1077 0.1714
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0488 0.4246 1
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0437 0.7961
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.2533 1
Echinococcus granulosus survival motor neuron protein 1 0.0708 0.6287 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0303 0.2533 1
Onchocerca volvulus 0.0156 0.1181 0.2065
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0069 0.0373 0.6784
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0062 0.0054
Loa Loa (eye worm) hypothetical protein 0.0076 0.0434 0.0648
Echinococcus multilocularis lysine specific demethylase 6a 0.0035 0.0057 0.0041
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0313 0.2633 0.4161
Loa Loa (eye worm) hypothetical protein 0.0708 0.6287 1
Echinococcus multilocularis zinc finger protein 0.0034 0.0048 0.0028
Brugia malayi mbt repeat family protein 0.0313 0.2632 0.4186
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0418 0.36 0.36
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.2533 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0078 0.008
Loa Loa (eye worm) hypothetical protein 0.0155 0.1164 0.1815
Loa Loa (eye worm) hypothetical protein 0.0076 0.0437 0.0653
Schistosoma mansoni importin beta-1 0.0059 0.0279 0.0279
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1216 0.1898
Plasmodium vivax SET domain protein, putative 0.0059 0.0281 0.5109
Schistosoma mansoni phosphatidylserine receptor 0.0035 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0316 0.2657 0.2657
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0437 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0328 0.0479
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0091 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0091 0.01
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0328 0.0423
Brugia malayi jmjC domain containing protein 0.0035 0.0057 0.0091
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0279 0.0354
Toxoplasma gondii ABC1 family protein 0.0071 0.0388 0.7072
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0388 0.0508
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0371 0.059
Loa Loa (eye worm) hypothetical protein 0.0056 0.0255 0.0362
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0176 0.0283
Toxoplasma gondii thioredoxin reductase 0.0046 0.0158 0.2881
Entamoeba histolytica hypothetical protein 0.0071 0.0386 0.1309
Echinococcus granulosus jumonji domain containing protein 0.0123 0.0869 0.1343
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0703 0.1679
Schistosoma mansoni ran 0.0043 0.0135 0.0135
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0091 0.089
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0388 0.1369
Echinococcus granulosus GTP binding nuclear protein Ran 0.0043 0.0135 0.017
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0091 0.0071
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0158 0.0208
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0328 0.0328
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0686 0.6079 0.9668
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0328 0.0522
Loa Loa (eye worm) hypothetical protein 0.0088 0.0549 0.0832
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0811 0.1959
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0233 0.1894 0.3012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.1894 0.2633
Mycobacterium ulcerans glutaminase 0.0273 0.2263 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0233 0.1894 0.298
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.0408 0.0607
Leishmania major importin beta-1 subunit, putative 0.0048 0.0176 0.3122
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Brugia malayi PHD-finger family protein 0.0088 0.0549 0.0874
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0388 0.0575
Onchocerca volvulus 0.0469 0.4076 0.956
Schistosoma mansoni jumonji domain containing protein 0.0254 0.2083 0.2083
Brugia malayi PHD-finger family protein 0.0046 0.0156 0.0248
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0043 0.0135 0.0215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.1894 0.1894
Mycobacterium ulcerans beta-lactamase 0.0071 0.0388 0.1369
Toxoplasma gondii PHD-finger domain-containing protein 0.0088 0.0549 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0452 0.3918 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.0388 0.0866
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0316 0.2657 0.371
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0091 0.0088
Brugia malayi hypothetical protein 0.0148 0.1102 0.1753
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0062 0.0135
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0388 0.0812
Mycobacterium ulcerans hypothetical protein 0.0071 0.0388 0.1369
Plasmodium falciparum importin beta, putative 0.0059 0.0279 0.5081
Echinococcus granulosus histone acetyltransferase MYST2 0.0145 0.1077 0.1676
Trypanosoma brucei trypanothione reductase 0.0046 0.0158 0.3619
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0313 0.2633 0.3676
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0028 0.0045
Echinococcus granulosus importin subunit beta 1 0.0059 0.0279 0.0401
Plasmodium vivax hypothetical protein, conserved 0.0088 0.0549 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0091 0.089
Plasmodium falciparum thioredoxin reductase 0.0046 0.0158 0.2881
Echinococcus multilocularis JmjC domain containing protein 4 0.0035 0.0057 0.0041
Schistosoma mansoni hypothetical protein 0.0498 0.4338 0.4338
Onchocerca volvulus 0.0093 0.0591 0.0538
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0386 0.0505
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0035 0.0057 0.1042
Brugia malayi Muscleblind-like protein 0.0155 0.1164 0.1852
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0037 0.0075 0.0065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Echinococcus granulosus lysine specific demethylase 5A 0.0198 0.1569 0.2462
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0703 0.6197
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0056 0.0039
Loa Loa (eye worm) hypothetical protein 0.0059 0.0279 0.0401
Schistosoma mansoni hypothetical protein 0.0032 0.0028 0.0028
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0388 0.0812
Giardia lamblia PHD finger protein 15 0.0088 0.0549 0.1727
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0031 0.002 0.002
Plasmodium falciparum JmjC domain-containing protein, putative 0.0057 0.0256 0.4669
Schistosoma mansoni alpha glucosidase 0.0036 0.0062 0.0062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0158 0.0183
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0049 0.0033
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0145 0.1077 0.1676
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1216 0.1676
Trichomonas vaginalis ran, putative 0.0043 0.0135 0.0181
Echinococcus granulosus muscleblind protein 0.0155 0.1164 0.1815
Plasmodium falciparum phd finger protein, putative 0.0088 0.0549 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0062 0.0135
Brugia malayi mbt repeat family protein 0.0488 0.4246 0.6753
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0388 0.0866
Echinococcus granulosus zinc finger protein 0.0034 0.0048 0.0031
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0388 0.8883
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0686 0.6079 0.854
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0386 0.0386
Brugia malayi glutaminase DH11.1 0.0273 0.2263 0.3599
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Schistosoma mansoni hypothetical protein 0.0071 0.0386 0.0386
Brugia malayi jmjC domain containing protein 0.0313 0.2633 0.4187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0328 0.0479
Plasmodium vivax JmjC domain containing protein 0.0057 0.0256 0.4669
Echinococcus multilocularis peregrin 0.009 0.057 0.0765
Loa Loa (eye worm) hypothetical protein 0.0145 0.1077 0.1676
Schistosoma mansoni jumonji/arid domain-containing protein 0.0198 0.1569 0.1569
Loa Loa (eye worm) glutaminase 2 0.0273 0.2263 0.357
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0091 0.2082
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.0158 0.1193 0.186
Loa Loa (eye worm) hypothetical protein 0.0069 0.0371 0.0547
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0049 0.0029
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0056 0.0045
Loa Loa (eye worm) hypothetical protein 0.0148 0.1102 0.1716
Schistosoma mansoni protein phosphatase 2C 0.0035 0.0057 0.0057
Brugia malayi beta-lactamase family protein 0.0071 0.0388 0.0618
Entamoeba histolytica Ran family GTPase 0.0043 0.0135 0.0294
Brugia malayi jmjC domain containing protein 0.0035 0.0057 0.0091
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0145 0.1077 0.1481
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0811 0.1959
Echinococcus granulosus phd:f box containing protein 0.0035 0.0057 0.0046
Onchocerca volvulus Alhambra homolog 0.0088 0.0549 0.043
Schistosoma mansoni hypothetical protein 0.0088 0.0549 0.0549
Echinococcus granulosus JmjC domain containing protein 4 0.0035 0.0057 0.0046
Trichomonas vaginalis glutaminase, putative 0.0273 0.2263 0.5482
Leishmania major hypothetical protein, conserved 0.0071 0.0388 0.8715
Loa Loa (eye worm) hypothetical protein 0.0156 0.1181 0.1841
Onchocerca volvulus 0.0338 0.2857 0.6405
Brugia malayi RNA, U transporter 1 0.0168 0.1285 0.2044
Brugia malayi Bromodomain containing protein 0.0088 0.0546 0.0868
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0388 0.0866
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0281 0.0281
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0328 0.0328
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0388 0.0812
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0091 0.1658
Echinococcus multilocularis chromobox protein 2 0.019 0.1494 0.2068
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0043 0.0135 0.3087
Echinococcus granulosus PHD finger protein rhinoceros 0.0088 0.0549 0.0832
Schistosoma mansoni phd/f-box containing protein 0.0035 0.0057 0.0057
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0062 0.1136
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0388 0.0866
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0703 0.1679
Echinococcus multilocularis histone acetyltransferase myst3 0.0041 0.0114 0.0121
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1216 0.1898
Loa Loa (eye worm) hypothetical protein 0.0155 0.1164 0.1815
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0328 0.0328
Echinococcus multilocularis muscleblind protein 1 0.0155 0.1164 0.1603
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0091 0.0116
Schistosoma mansoni hypothetical protein 0.0032 0.0028 0.0028
Brugia malayi jmjC domain containing protein 0.0035 0.0057 0.0091
Loa Loa (eye worm) glutathione reductase 0.0046 0.0158 0.0208
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0437 1
Toxoplasma gondii PLU-1 family protein 0.0042 0.0126 0.229
Mycobacterium tuberculosis Conserved protein 0.0071 0.0388 0.0866
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0434 0.0434
Schistosoma mansoni alpha-glucosidase 0.0138 0.101 0.101
Echinococcus multilocularis jumonji domain containing protein 0.0123 0.0869 0.1186
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0158 0.2658
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0386 0.0571
Plasmodium falciparum glutathione reductase 0.0046 0.0158 0.2881
Loa Loa (eye worm) hypothetical protein 0.0035 0.0057 0.0046
Brugia malayi jmjC domain containing protein 0.0035 0.0057 0.0091
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0158 0.0208
Schistosoma mansoni jumonji domain containing protein 0.0035 0.0057 0.0057
Echinococcus multilocularis jumonji domain containing 1A 0.0035 0.0057 0.0041
Entamoeba histolytica hypothetical protein 0.0071 0.0386 0.1309
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.1101 0.465
Schistosoma mansoni hypothetical protein 0.0034 0.0049 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.1894 0.2633
Brugia malayi jmjC domain containing protein 0.0241 0.1962 0.312
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.0408 0.0536
Brugia malayi hypothetical protein 0.0156 0.1181 0.1878
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0057 0.0046
Echinococcus multilocularis muscleblind protein 0.0155 0.1164 0.1603
Trypanosoma brucei glucosidase, putative 0.0036 0.0062 0.1426
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0281 0.0356
Trichomonas vaginalis importin beta-1, putative 0.0048 0.0176 0.0283
Trichomonas vaginalis set domain proteins, putative 0.0469 0.4076 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0037 0.0075 0.0074
Schistosoma mansoni sex comb on midleg homolog 0.0303 0.2536 0.2536
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0666 0.1059
Brugia malayi Inositol-1 0.0039 0.0091 0.0145
Echinococcus granulosus peregrin 0.009 0.057 0.0866
Mycobacterium tuberculosis Conserved protein 0.0071 0.0388 0.0866
Echinococcus granulosus tar DNA binding protein 0.0064 0.0328 0.0479
Echinococcus multilocularis snurportin 1 0.063 0.5559 0.7806
Loa Loa (eye worm) hypothetical protein 0.0488 0.4246 0.6738
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0388 0.0388
Treponema pallidum fructose-bisphosphate aldolase 0.0303 0.2533 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0076 0.0434 0.0572
Brugia malayi hypothetical protein 0.0076 0.0437 0.0695
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0388 0.8715
Brugia malayi Bromodomain containing protein 0.0037 0.0077 0.0123
Brugia malayi Pre-SET motif family protein 0.0412 0.3549 0.5644
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.1101 0.271
Brugia malayi Thioredoxin reductase 0.0046 0.0158 0.0252
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0062 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0388 0.7072
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0388 0.3197
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Loa Loa (eye worm) hypothetical protein 0.0101 0.0666 0.1018
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0703 0.1679
Echinococcus granulosus histone lysine methyltransferase setb 0.0076 0.0434 0.0648
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0388 0.0812
Loa Loa (eye worm) hypothetical protein 0.0046 0.0156 0.0204
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0158 0.2881
Loa Loa (eye worm) hypothetical protein 0.004 0.0099 0.0114
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.1894 0.298
Onchocerca volvulus 0.0071 0.0388 0.0013
Loa Loa (eye worm) hypothetical protein 0.0069 0.0369 0.0544
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0158 0.0271
Echinococcus granulosus SAM and MBT domain containing protein 0.0418 0.36 0.5706
Echinococcus granulosus lysine specific demethylase 6a 0.0035 0.0057 0.0046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.1894 0.1894
Echinococcus granulosus polycomb protein SCMH1 0.0303 0.2536 0.4006
Brugia malayi Pre-SET motif family protein 0.0059 0.0281 0.0446
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0434 0.0434
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.7113 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0388 0.0575
Brugia malayi F/Y-rich N-terminus family protein 0.0048 0.0176 0.028
Echinococcus multilocularis SAM and MBT domain containing protein 0.0418 0.36 0.5041
Loa Loa (eye worm) inositol-1 0.0039 0.0091 0.01
Schistosoma mansoni alpha-glucosidase 0.0138 0.101 0.101
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.007 0.0383 0.0383
Schistosoma mansoni hypothetical protein 0.0032 0.0028 0.0028
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.014 0.1033 0.1605
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1216 0.1934
Brugia malayi PHD-finger family protein 0.0039 0.0096 0.0152
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0043 0.0135 0.2458
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0135 0.2046
Echinococcus granulosus chromobox protein 2 0.019 0.1494 0.2341
Brugia malayi hypothetical protein 0.0071 0.0386 0.0614
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0328 0.0328
Echinococcus multilocularis lysine specific demethylase 5A 0.0182 0.1413 0.1955
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.1894 0.298
Loa Loa (eye worm) RNA binding protein 0.0064 0.0328 0.0479
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0811 0.1959
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0437 0.7961
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0388 0.0866
Mycobacterium ulcerans lipase LipD 0.0071 0.0388 0.1369
Echinococcus multilocularis phd:f box containing protein 0.0035 0.0057 0.0041
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0028 0.0045
Mycobacterium tuberculosis Probable reductase 0.0105 0.0703 0.1679
Leishmania major trypanothione reductase 0.0046 0.0158 0.2658
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0811 0.7229
Loa Loa (eye worm) glutaminase 0.0273 0.2263 0.357
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0279 0.5081
Schistosoma mansoni jumonji/arid domain-containing protein 0.0198 0.1569 0.1569
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0062 0.0099
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0144 0.107 0.1702
Echinococcus multilocularis histone acetyltransferase MYST2 0.0145 0.1077 0.1481
Entamoeba histolytica hypothetical protein 0.0071 0.0386 0.1309
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0316 0.2657 0.4199
Schistosoma mansoni phd finger protein 0.0041 0.0114 0.0114
Onchocerca volvulus 0.0071 0.0388 0.0013
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0437 1
Trichomonas vaginalis esterase, putative 0.0071 0.0388 0.0812
Brugia malayi hypothetical protein 0.0049 0.0188 0.0299
Schistosoma mansoni inositol monophosphatase 0.0039 0.0091 0.0091
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0091 0.0071
Brugia malayi Bromodomain containing protein 0.009 0.057 0.0907
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0388 0.0388
Plasmodium vivax importin-beta 2, putative 0.0059 0.0279 0.5081
Loa Loa (eye worm) jmjC domain-containing protein 0.0182 0.1418 0.222
Loa Loa (eye worm) MBCTL1 0.0145 0.1077 0.1676
Schistosoma mansoni chromobox protein 0.019 0.1494 0.1494
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0035 0.0057 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0388 0.8715
Loa Loa (eye worm) PHD-finger family protein 0.0088 0.0549 0.0832
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0437 0.7961
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0057 0.0046
Schistosoma mansoni hypothetical protein 0.0069 0.0371 0.0371
Onchocerca volvulus Huntingtin homolog 0.0148 0.1102 0.1862
Loa Loa (eye worm) hypothetical protein 0.0148 0.1102 0.1716
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0062 0.0135
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.0176 0.3122
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0062 0.0054
Echinococcus multilocularis PHD finger protein rhinoceros 0.0088 0.0549 0.0735
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0088 0.0549 0.0549
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1216 0.1676
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0388 0.1369
Mycobacterium leprae Probable lipase LipE 0.0071 0.0388 0.3197
Brugia malayi beta-lactamase family protein 0.0071 0.0388 0.0618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.2533 0.6156
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0388 0.0866
Onchocerca volvulus 0.0144 0.107 0.1778
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0035 0.0057 0.1309
Brugia malayi glutathione reductase 0.0046 0.0158 0.0252
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0037 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0035 0.0057 0.0046
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0388 0.0812
Echinococcus multilocularis geminin 0.0498 0.4338 0.6083
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0703 0.1679
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0043 0.0135 0.017
Entamoeba histolytica hypothetical protein 0.0071 0.0386 0.1309
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0437 0.7961
Schistosoma mansoni sex comb on midleg homolog 0.0303 0.2536 0.2536
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.014 0.1033 0.1418
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.063 0.5559 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0666 0.1059
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.026 0.0371
Brugia malayi TAR-binding protein 0.0064 0.0328 0.0522
Schistosoma mansoni bromodomain containing protein 0.0076 0.0441 0.0441
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0703 0.1679
Echinococcus multilocularis polycomb protein SCMH1 0.0303 0.2536 0.3539
Schistosoma mansoni myelin transcription factor 1 myt1 0.0145 0.1077 0.1077
Leishmania major hypothetical protein, conserved 0.0076 0.0437 1
Leishmania major GTP-binding protein, putative 0.0043 0.0135 0.2046
Toxoplasma gondii PHD-finger domain-containing protein 0.0088 0.0549 1
Schistosoma mansoni survival motor neuron protein 0.0144 0.107 0.107
Schistosoma mansoni zinc finger protein 0.0034 0.0048 0.0048
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0388 0.0618
Schistosoma mansoni ran 0.0043 0.0135 0.0135
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0057 0.0046
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0279 0.6382
Loa Loa (eye worm) beta-lactamase 0.0071 0.0388 0.0575
Onchocerca volvulus 0.0071 0.0388 0.0013
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0388 0.0866
Schistosoma mansoni glutaminase 0.0273 0.2263 0.2263
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0135 0.2046
Plasmodium vivax glutathione reductase, putative 0.0046 0.0158 0.2881
Loa Loa (eye worm) mbt repeat family protein 0.0313 0.2632 0.416
Schistosoma mansoni hypothetical protein 0.0144 0.107 0.107
Onchocerca volvulus Huntingtin homolog 0.0148 0.1102 0.1862
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0043 0.0135 0.015
Schistosoma mansoni hypothetical protein 0.0498 0.4338 0.4338
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.3549 0.5625
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.1101 1
Echinococcus granulosus histone acetyltransferase myst3 0.0041 0.0114 0.0137
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0575
Brugia malayi beta-lactamase 0.0071 0.0388 0.0618
Echinococcus granulosus geminin 0.0498 0.4338 0.6887
Loa Loa (eye worm) jmjC domain-containing protein 0.0241 0.1962 0.3089
Brugia malayi Importin beta-1 subunit 0.0059 0.0279 0.0444
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0091 0.0071
Schistosoma mansoni inositol monophosphatase 0.0039 0.0091 0.0091

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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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