Detailed information for compound 1672951

Basic information

Technical information
  • TDR Targets ID: 1672951
  • Name: 3-(4-methylphenyl)-1-naphthalen-1-ylprop-2-en -1-one
  • MW: 272.34 | Formula: C20H16O
  • H donors: 0 H acceptors: 1 LogP: 5.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)/C=C/C(=O)c1cccc2c1cccc2
  • InChi: 1S/C20H16O/c1-15-9-11-16(12-10-15)13-14-20(21)19-8-4-6-17-5-2-3-7-18(17)19/h2-14H,1H3/b14-13+
  • InChiKey: GMEVIIOICMDAAI-BUHFOSPRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(4-methylphenyl)-1-naphthalen-1-ylprop-2-en-1-one
  • 3-(4-methylphenyl)-1-(1-naphthyl)prop-2-en-1-one
  • (E)-3-(4-methylphenyl)-1-(1-naphthyl)prop-2-en-1-one
  • (E)-3-(4-methylphenyl)-1-naphthalen-1-yl-prop-2-en-1-one
  • 3-(4-methylphenyl)-1-naphthalen-1-yl-prop-2-en-1-one
  • NSC621373
  • NCI60_006246

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
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.12 0.4362
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.0268 0.5
Echinococcus granulosus 6 phosphofructokinase 0.0125 0.0873 0.0873
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0353 0.2808 0.4701
Leishmania major ATP-dependent phosphofructokinase 0.0125 0.0873 0.3168
Plasmodium vivax SET domain protein, putative 0.0098 0.0642 0.5679
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0642 0.0986
Trypanosoma cruzi DNA polymerase eta, putative 0.0107 0.0719 0.2573
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0353 0.2808 0.4701
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0084 0.0247
Toxoplasma gondii hypothetical protein 0.0056 0.0286 0.25
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0099 0.0313
Loa Loa (eye worm) hypothetical protein 0.0171 0.1262 0.2258
Trypanosoma cruzi DNA polymerase eta, putative 0.0053 0.0265 0.0911
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.0873 0.1341
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0392 0.3142 0.5289
Echinococcus multilocularis pyruvate kinase 0.0038 0.0137 0.0137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Echinococcus multilocularis disco interacting protein 2 0.0044 0.0189 0.0189
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0225 0.0763
Echinococcus granulosus beta LACTamase domain containing family member 0.0111 0.0753 0.0753
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0034 0.0099 0.0375
Trichomonas vaginalis mercuric reductase, putative 0.0054 0.0268 0.0419
Schistosoma mansoni pyruvate kinase 0.0038 0.0137 0.021
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0137 0.0439
Echinococcus granulosus disco interacting protein 2 0.0044 0.0189 0.0189
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0039 0.0147
Loa Loa (eye worm) hypothetical protein 0.005 0.0238 0.0426
Onchocerca volvulus 0.0774 0.639 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0084 0.0318
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0099 0.0837
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.047 0.0841
Schistosoma mansoni microtubule-associated protein tau 0.0788 0.6508 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0077 0.047 0.0587
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Brugia malayi Pre-SET motif family protein 0.068 0.5592 1
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0753 0.1179
Echinococcus multilocularis cpg binding protein 0.0038 0.014 0.014
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0137 0.0245
Echinococcus multilocularis muscleblind protein 0.0171 0.1262 0.1262
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0873 0.3295
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0137 0.0214
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0099 0.0837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Mycobacterium ulcerans beta-lactamase 0.0111 0.0753 0.2991
Treponema pallidum fructose-bisphosphate aldolase 0.0334 0.2649 1
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0023 0.0006 0.0009
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0054 0.0268 0.102
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0044 0.0189 0.029
Loa Loa (eye worm) glutaminase 0.0314 0.2478 0.4432
Mycobacterium tuberculosis Conserved protein 0.0111 0.0753 0.1085
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.2743 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0054 0.0268 0.2342
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0111 0.0753 0.2991
Echinococcus multilocularis survival motor neuron protein 1 0.027 0.2107 0.2107
Echinococcus multilocularis expressed protein 0.0033 0.0091 0.0091
Mycobacterium ulcerans hypothetical protein 0.0182 0.1357 0.5442
Mycobacterium tuberculosis Probable esterase LipL 0.0111 0.0753 0.1085
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.1002 0.3614
Trypanosoma brucei unspecified product 0.0097 0.0636 0.2304
Brugia malayi beta-lactamase family protein 0.0111 0.0753 0.1347
Trichomonas vaginalis rotamase, putative 0.0032 0.0084 0.0132
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0098 0.0642 0.0642
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0084 0.0525 0.1897
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0137 0.0439
Echinococcus multilocularis thioredoxin glutathione reductase 0.0155 0.1126 0.1126
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0077 0.047 0.0841
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0111 0.0753 0.1085
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0054 0.0268 0.0958
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0097 0.0638 0.5645
Schistosoma mansoni hypothetical protein 0.0055 0.0281 0.0432
Mycobacterium ulcerans hypothetical protein 0.0111 0.0753 0.2991
Echinococcus granulosus expressed protein 0.0429 0.3452 0.3452
Trypanosoma brucei trypanothione reductase 0.0155 0.1126 0.4092
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0163 0.1198 0.1868
Brugia malayi beta-lactamase 0.0111 0.0753 0.1347
Toxoplasma gondii ABC1 family protein 0.0111 0.0753 0.6672
Brugia malayi glutathione reductase 0.0155 0.1126 0.2014
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0332 0.0594
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0958
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0353 0.2808 0.8888
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0054 0.0268 0.2342
Mycobacterium tuberculosis Probable dehydrogenase 0.0353 0.2808 0.4701
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.0268 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.0445 0.0542
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0091 0.0162
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0445 0.0445
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0053 0.0265 0.2318
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Mycobacterium ulcerans esterase/lipase LipP 0.0111 0.0753 0.2991
Trypanosoma brucei unspecified product 0.0053 0.0266 0.0952
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0125 0.0873 0.1295
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.0753 0.1179
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0054 0.0268 0.0921
Onchocerca volvulus 0.0038 0.014 0.0005
Brugia malayi Pre-SET motif family protein 0.0098 0.0642 0.1148
Trypanosoma brucei beta lactamase 0.0062 0.0336 0.1206
Trypanosoma brucei DNA polymerase IV, putative 0.0103 0.0691 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0321 0.1152
Chlamydia trachomatis pyruvate kinase 0.0038 0.0137 0.2214
Leishmania major DNA polymerase eta, putative 0.0107 0.0719 0.2604
Loa Loa (eye worm) glutathione reductase 0.0155 0.1126 0.2014
Echinococcus granulosus DNA methyltransferase 2, putative 0.0023 0.0006 0.0006
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0137 0.117
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.0873 0.1561
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0054 0.0268 0.0958
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Loa Loa (eye worm) hypothetical protein 0.0044 0.0189 0.0337
Plasmodium vivax glutathione reductase, putative 0.0155 0.1126 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0353 0.2808 0.4701
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.0753 0.1157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.0873 0.1561
Echinococcus granulosus thioredoxin glutathione reductase 0.0155 0.1126 0.1126
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0238 0.0849
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0077 0.047 0.047
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.0873 0.3139
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0137 0.117
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0155 0.1126 0.1741
Loa Loa (eye worm) thioredoxin reductase 0.0155 0.1126 0.2014
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0054 0.0268 0.0412
Brugia malayi hypothetical protein 0.0506 0.4111 0.7351
Echinococcus granulosus survival motor neuron protein 1 0.027 0.2107 0.2107
Schistosoma mansoni cpg binding protein 0.0038 0.014 0.0215
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Trypanosoma brucei DNA damage repair protein, putative 0.0024 0.0017 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0753 0.1179
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0321 0.1152
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.1002 0.3614
Mycobacterium tuberculosis Conserved protein 0.0111 0.0753 0.1085
Trypanosoma brucei DNA polymerase eta, putative 0.0107 0.0719 0.2604
Onchocerca volvulus 0.0111 0.0753 0.0986
Echinococcus granulosus pyruvate kinase 0.0038 0.0137 0.0137
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0281 0.0503
Brugia malayi polk-prov protein 0.005 0.0238 0.0426
Brugia malayi hypothetical protein 0.027 0.2107 0.3769
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0111 0.0753 0.1347
Toxoplasma gondii phosphofructokinase PFKII 0.0034 0.0099 0.0837
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0137 0.0245
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0024 0.0017 0.0102
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0023 0.0006 0.0006
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.014 0.1002 0.1002
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0238 0.0849
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.1002 0.3641
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0054 0.0268 0.0958
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0445 0.1738
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0054 0.0268 0.2342
Echinococcus multilocularis muscleblind protein 1 0.0171 0.1262 0.1262
Mycobacterium tuberculosis Probable hydrolase 0.0111 0.0753 0.1085
Brugia malayi phosphofructokinase 0.0125 0.0873 0.1561
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.12 0.4339
Leishmania major DNA damage repair protein, putative 0.0024 0.0017 0.0042
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0111 0.0753 0.1085
Leishmania major pyruvate kinase 0.0038 0.0137 0.0479
Plasmodium falciparum DNA repair protein REV1, putative 0.0024 0.0017 0.0102
Plasmodium vivax DNA repair protein REV1, putative 0.0024 0.0017 0.0102
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0054 0.0268 0.0479
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.003 0.0072 0.0591
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.0753 0.27
Schistosoma mansoni DNA polymerase eta 0.0107 0.0719 0.1104
Echinococcus granulosus dna polymerase eta 0.0107 0.0719 0.0719
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Leishmania major mitochondrial DNA polymerase beta 0.0345 0.2743 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0039 0.0147 0.0263
Brugia malayi 6-phosphofructokinase 0.0125 0.0873 0.1561
Echinococcus granulosus histone lysine methyltransferase setb 0.0098 0.0642 0.0642
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.0753 0.27
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0137 0.0479
Mycobacterium ulcerans lipase LipD 0.0111 0.0753 0.2991
Trypanosoma cruzi DNA polymerase kappa, putative 0.0103 0.0691 0.2473
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.0245
Plasmodium falciparum glutathione reductase 0.0155 0.1126 1
Echinococcus granulosus microtubule associated protein 2 0.0788 0.6508 0.6508
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0873 0.1366
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0054 0.0268 0.0268
Echinococcus granulosus cpg binding protein 0.0038 0.014 0.014
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0091 0.0142
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 0.2743 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.0445 0.0795
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0023 0.0006 0.0021
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.0753 0.1179
Mycobacterium leprae Probable lipase LipE 0.0111 0.0753 0.2051
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0225 0.0802
Loa Loa (eye worm) hypothetical protein 0.0506 0.4111 0.7351
Plasmodium falciparum pyruvate kinase 0.0038 0.0137 0.117
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0098 0.0642 0.5679
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0062 0.0336 0.0662
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0054 0.0268 0.2342
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Loa Loa (eye worm) runx1 0.0063 0.0352 0.063
Giardia lamblia Pyruvate kinase 0.0038 0.0137 0.0455
Trypanosoma cruzi DNA polymerase kappa, putative 0.0103 0.0691 0.2473
Mycobacterium ulcerans 6-phosphofructokinase 0.0125 0.0873 0.3477
Trichomonas vaginalis glutathione reductase, putative 0.0054 0.0268 0.0419
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.0753 0.1157
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0137 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0525 0.1897
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.2743 1
Trypanosoma brucei unspecified product 0.0053 0.0266 0.0952
Onchocerca volvulus 0.0111 0.0753 0.0986
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0039 0.0147 0.0263
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0707 0.5819 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0334 0.2649 1
Echinococcus multilocularis pyruvate kinase 0.0038 0.0137 0.0137
Echinococcus multilocularis transcription factor Dp 1 0.0081 0.0501 0.0501
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.014 0.1002 0.3641
Treponema pallidum NADH oxidase 0.0054 0.0268 0.0662
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0054 0.0268 0.0268
Toxoplasma gondii 6-phosphofructokinase 0.0034 0.0099 0.0837
Trichomonas vaginalis glutaminase, putative 0.0314 0.2478 0.3878
Giardia lamblia DINP protein human, muc B family 0.0084 0.0525 0.193
Mycobacterium ulcerans glutaminase 0.0314 0.2478 1
Trypanosoma brucei DNA damage repair protein, putative 0.0024 0.0017 0.0042
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0111 0.0753 0.1347
Leishmania major DNA polymerase kappa, putative 0.0084 0.0525 0.1897
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.12 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0155 0.1126 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0103 0.0691 0.2473
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Schistosoma mansoni DNA polymerase IV / kappa 0.0024 0.0017 0.0026
Echinococcus multilocularis beta LACTamase domain containing family member 0.0111 0.0753 0.0753
Schistosoma mansoni lozenge 0.0063 0.0352 0.0541
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0084 0.0247
Mycobacterium tuberculosis Conserved protein 0.0111 0.0753 0.1085
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0084 0.0287
Brugia malayi beta-lactamase family protein 0.0111 0.0753 0.1347
Onchocerca volvulus 0.0055 0.0281 0.0231
Schistosoma mansoni terminal deoxycytidyl transferase 0.0077 0.047 0.0722
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0642 0.0986
Onchocerca volvulus 0.0044 0.0189 0.0083
Giardia lamblia NADH oxidase lateral transfer candidate 0.0054 0.0268 0.0954
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0873 0.3295
Schistosoma mansoni survival motor neuron protein 0.0055 0.0281 0.0432
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.0873 0.1341
Leishmania major hypothetical protein, conserved 0.0111 0.0753 0.2731
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0054 0.0268 0.102
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0353 0.2808 0.4701
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0017 0.0042
Leishmania major trypanothione reductase 0.0155 0.1126 0.4092
Trypanosoma brucei chrX additional, unordered contigs 0.0024 0.0017 0.0042
Brugia malayi ImpB/MucB/SamB family protein 0.0107 0.0719 0.1285
Loa Loa (eye worm) hypothetical protein 0.0098 0.0642 0.1148
Echinococcus granulosus dna polymerase kappa 0.0103 0.0691 0.0691
Loa Loa (eye worm) phosphofructokinase 0.0125 0.0873 0.1561
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0128 0.0902 0.3595
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.068 0.5592 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0392 0.3142 0.5289
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.014 0.1002 0.1793
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.0873 0.3168
Mycobacterium tuberculosis Probable oxidoreductase 0.0392 0.3142 0.5289
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Loa Loa (eye worm) hypothetical protein 0.0111 0.0753 0.1347
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0084 0.0701
Trichomonas vaginalis rotamase, putative 0.0033 0.0091 0.0142
Echinococcus granulosus expressed protein 0.0033 0.0091 0.0091
Schistosoma mansoni cpg binding protein 0.0038 0.014 0.0215
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Mycobacterium tuberculosis Probable lipase LipE 0.0111 0.0753 0.1085
Trypanosoma cruzi DNA polymerase kappa, putative 0.0103 0.0691 0.2473
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0054 0.0268 0.0921
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0094 0.0611 0.0611
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0445 0.1738
Plasmodium falciparum thioredoxin reductase 0.0054 0.0268 0.2342
Echinococcus multilocularis dna polymerase kappa 0.0103 0.0691 0.0691
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0137 0.0479
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.0873 0.3295
Trichomonas vaginalis DNA polymerase eta, putative 0.0103 0.0691 0.1082
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0445 0.0445
Loa Loa (eye worm) beta-lactamase 0.0111 0.0753 0.1347
Mycobacterium ulcerans lipoprotein LpqF 0.0062 0.0336 0.1295
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0103 0.0691 0.1082
Toxoplasma gondii hypothetical protein 0.0097 0.0638 0.5645
Echinococcus multilocularis Protein lozenge 0.0063 0.0352 0.0352
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0321 0.1152
Schistosoma mansoni cpg binding protein 0.0038 0.014 0.0215
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0225 0.0763
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0128 0.0902 0.1346
Trypanosoma brucei hypothetical protein, conserved 0.0111 0.0753 0.2731
Loa Loa (eye worm) hypothetical protein 0.0107 0.0719 0.1285
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0163 0.1198 0.4799
Mycobacterium tuberculosis Probable reductase 0.0353 0.2808 0.4701
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0034 0.0099 0.0837
Trypanosoma brucei DNA polymerase IV, putative 0.0103 0.0691 0.2504
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0315 0.1094
Trypanosoma brucei DNA polymerase IV, putative 0.0097 0.0636 0.2304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145
Mycobacterium leprae conserved hypothetical protein 0.0111 0.0753 0.2051
Trypanosoma cruzi trypanothione reductase, putative 0.0155 0.1126 0.4068
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0062 0.0336 0.035
Plasmodium falciparum thioredoxin reductase 0.0155 0.1126 1
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0873 0.1366
Loa Loa (eye worm) glutaminase 2 0.0314 0.2478 0.4432
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0054 0.0268 1
Echinococcus multilocularis expressed protein 0.0429 0.3452 0.3452
Brugia malayi Disco-interacting protein 2 homolog 0.0044 0.0189 0.0337
Onchocerca volvulus 0.0111 0.0753 0.0986
Toxoplasma gondii NADPH-glutathione reductase 0.0054 0.0268 0.2342
Schistosoma mansoni rotamase 0.0033 0.0091 0.0139
Mycobacterium ulcerans DNA polymerase IV 0.0103 0.0691 0.2739
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.1357 0.2147
Loa Loa (eye worm) hypothetical protein 0.0171 0.1262 0.2258
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0873 0.1366
Echinococcus multilocularis 6 phosphofructokinase 0.0125 0.0873 0.0873
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0392 0.3142 1
Schistosoma mansoni pyruvate kinase 0.0038 0.0137 0.021
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0099 0.0156
Brugia malayi CXXC zinc finger family protein 0.0038 0.014 0.025
Mycobacterium tuberculosis Probable lipase LipD 0.0111 0.0753 0.1085
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0054 0.0268 0.0958
Brugia malayi Muscleblind-like protein 0.0171 0.1262 0.2258
Brugia malayi 6-phosphofructokinase 0.0125 0.0873 0.1561
Plasmodium vivax hypothetical protein, conserved 0.0111 0.0753 0.6672
Trichomonas vaginalis esterase, putative 0.0111 0.0753 0.1179
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Loa Loa (eye worm) hypothetical protein 0.027 0.2107 0.3769
Echinococcus granulosus Solute carrier family 22 5 0.1188 0.9906 0.9906
Brugia malayi Thioredoxin reductase 0.0155 0.1126 0.2014
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0098 0.0642 0.0986
Mycobacterium ulcerans DNA polymerase IV 0.0103 0.0691 0.2739
Toxoplasma gondii thioredoxin reductase 0.0155 0.1126 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0054 0.0268 0.2342
Plasmodium falciparum glutathione reductase 0.0054 0.0268 0.2342
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0054 0.0268 0.102
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0054 0.0268 0.0231
Echinococcus multilocularis dna polymerase eta 0.0107 0.0719 0.0719
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0077 0.047 0.0722
Trypanosoma brucei DNA polymerase kappa, putative 0.0103 0.0691 0.2504
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0099 0.0837
Loa Loa (eye worm) hypothetical protein 0.0506 0.4111 0.7351
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.0445 0.1604
Leishmania major DNA polymerase eta, putative 0.0053 0.0265 0.0949
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.0445 0.0683
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.014 0.1002 0.154
Trichomonas vaginalis set domain proteins, putative 0.0774 0.639 1
Leishmania major pyruvate kinase 0.0038 0.0137 0.0479
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0137 0.0486
Giardia lamblia Fructose-bisphosphate aldolase 0.0334 0.2649 1
Onchocerca volvulus 0.0506 0.4111 0.6355
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0137 0.0245
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0137 0.0245
Schistosoma mansoni glutaminase 0.0314 0.2478 0.3808
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0084 0.0525 0.0683
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0163 0.1198 0.3532
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0111 0.0753 0.1085
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0753 0.1179
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.014 0.1002 0.3784
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.014 0.1002 0.1002
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0125 0.0873 0.3034
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.12 0.4362
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0137 0.0214
Leishmania major DNA polymerase kappa, putative 0.0024 0.0017 0.0042
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0098 0.0642 0.0642
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0091 0.0162
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0125 0.0873 0.2449
Loa Loa (eye worm) hypothetical protein 0.0027 0.0039 0.0069
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0039 0.0069
Entamoeba histolytica deoxycytidyl transferase, putative 0.0077 0.047 0.1775
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.014 0.1002 0.1793
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0268 0.0921
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0099 0.0837
Echinococcus granulosus transcription factor Dp 1 0.0081 0.0501 0.0501
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0642 0.0986
Loa Loa (eye worm) CXXC zinc finger family protein 0.0038 0.014 0.025
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.0873 0.1366
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0054 0.0268 0.0958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Echinococcus granulosus muscleblind protein 0.0171 0.1262 0.1262
Echinococcus multilocularis pyruvate kinase 0.003 0.0069 0.0069
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0099 0.0156
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0054 0.0268 0.0958
Echinococcus granulosus pyruvate kinase 0.0038 0.0137 0.0137
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0334 0.2649 1
Echinococcus multilocularis microtubule associated protein 2 0.0788 0.6508 0.6508
Onchocerca volvulus 0.0098 0.0642 0.0808
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0077 0.047 0.047
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0017 0.0042
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0225 0.0763
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0958
Brugia malayi glutaminase DH11.1 0.0314 0.2478 0.4432
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0084 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0268 0.0921
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0334 0.2649 0.4145

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.144 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.844 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.771 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.602 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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