Detailed information for compound 1012476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.351 | Formula: C17H19N3O3
  • H donors: 4 H acceptors: 3 LogP: -0.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H](C(=O)O)CCC(=O)Nc1ccc(cc1)Nc1ccccc1
  • InChi: 1S/C17H19N3O3/c18-15(17(22)23)10-11-16(21)20-14-8-6-13(7-9-14)19-12-4-2-1-3-5-12/h1-9,15,19H,10-11,18H2,(H,20,21)(H,22,23)/t15-/m0/s1
  • InChiKey: CKEDBZVOBFKCJM-HNNXBMFYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens leukotriene A4 hydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) leukotriene A4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus multilocularis leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 leukotriene A4 hydrolase 611 aa 508 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni endoplasmin 0.0051 0.0315 0.0354
Echinococcus granulosus heat shock protein 90 0.0051 0.0315 0.0381
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0032 0.0039
Echinococcus granulosus lamin dm0 0.003 0.0095 0.0114
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0357 0.1361
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0092 0.0757 0.2887
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0024 0.003 0.0037
Brugia malayi jmjC domain containing protein 0.0069 0.051 0.1946
Giardia lamblia Heat shock protein HSP 90-alpha 0.0051 0.0315 0.4168
Echinococcus multilocularis microtubule associated protein 2 0.0788 0.8281 0.8281
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0032 0.0032
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Giardia lamblia Thioredoxin reductase 0.0024 0.003 0.0402
Echinococcus granulosus heat shock protein 0.0051 0.0315 0.0381
Loa Loa (eye worm) RNA binding protein 0.0131 0.1181 0.4249
Echinococcus granulosus heat shock protein 90 0.0043 0.0236 0.0285
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0092 0.0757 0.2887
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Plasmodium falciparum thioredoxin reductase 0.0264 0.2621 1
Treponema pallidum NADH oxidase 0.0092 0.0757 1
Trichomonas vaginalis set domain proteins, putative 0.0262 0.2598 1
Trichomonas vaginalis glutamate synthase, putative 0.0024 0.003 0.0117
Loa Loa (eye worm) intermediate filament protein 0.003 0.0095 0.0341
Schistosoma mansoni hypothetical protein 0.0024 0.0032 0.0036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0768 0.0927
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0768 0.2761
Onchocerca volvulus 0.0173 0.1632 0.6238
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0768 0.0927
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0112 0.0135
Brugia malayi jmjC domain containing protein 0.0069 0.051 0.1946
Echinococcus multilocularis musashi 0.003 0.0095 0.0095
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0069 0.051 0.051
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0024 0.003 0.0116
Toxoplasma gondii thioredoxin reductase 0.0264 0.2621 1
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0024 0.003 0.0037
Schistosoma mansoni sulfide quinone reductase 0.0024 0.003 0.0034
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0092 0.0757 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0092 0.0757 0.3911
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0092 0.0757 0.2887
Loa Loa (eye worm) hypothetical protein 0.003 0.0095 0.0341
Loa Loa (eye worm) hypothetical protein 0.0033 0.0125 0.0448
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.037 0.133
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0357 0.1361
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0024 0.003 0.0117
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.037 0.0416
Trypanosoma cruzi trypanothione reductase, putative 0.0264 0.2621 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0048 0.0282 0.3724
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0602 0.6277 0.8963
Loa Loa (eye worm) thioredoxin reductase 0.0264 0.2621 0.9428
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.1181 0.4507
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0357 0.1361
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0024 0.003 0.0037
Trypanosoma brucei NADH dehydrogenase 0.0024 0.003 0.0116
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0024 0.003 0.0043
Mycobacterium tuberculosis Probable dehydrogenase 0.0602 0.6277 0.8963
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Mycobacterium ulcerans aldehyde dehydrogenase 0.0201 0.1935 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0453 0.0453
Schistosoma mansoni endoplasmin 0.0051 0.0315 0.0354
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.067 0.7003 1
Echinococcus multilocularis endoplasmin 0.0048 0.0282 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1181 0.1328
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.051 0.0573
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0086 0.0332
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Schistosoma mansoni hypothetical protein 0.0024 0.003 0.0034
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0034 0.0132 0.0394
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0024 0.003 0.0157
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0453 0.0547
Echinococcus granulosus glutamate synthase 0.0024 0.003 0.0037
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Echinococcus granulosus microtubule associated protein 2 0.0788 0.8281 1
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Trypanosoma cruzi heat shock protein, putative 0.0034 0.0132 0.0502
Trypanosoma cruzi heat shock protein 90, putative 0.0043 0.0236 0.0902
Leishmania major NADH dehydrogenase, putative 0.0024 0.003 0.0116
Schistosoma mansoni glutamate synthase 0.0024 0.003 0.0034
Trichomonas vaginalis heat shock protein, putative 0.0037 0.0165 0.0636
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.2781 1
Schistosoma mansoni jumonji domain containing protein 0.0069 0.051 0.0573
Plasmodium vivax glutathione reductase, putative 0.0264 0.2621 1
Plasmodium falciparum thioredoxin reductase 0.0092 0.0757 0.2887
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0092 0.0757 0.0757
Echinococcus multilocularis thioredoxin glutathione reductase 0.0267 0.2652 0.2652
Plasmodium falciparum heat shock protein 90 0.0051 0.0315 0.1203
Schistosoma mansoni glutamate synthase 0.0024 0.003 0.0034
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0024 0.003 0.0116
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Giardia lamblia Heat shock protein HSP 90-alpha 0.0043 0.0236 0.3123
Mycobacterium ulcerans ferredoxin reductase 0.0024 0.003 0.0157
Loa Loa (eye worm) hypothetical protein 0.003 0.0089 0.0319
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0034 0.0132 0.0159
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0092 0.0757 1
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0024 0.003 0.0116
Schistosoma mansoni heat shock protein 0.0051 0.0315 0.0354
Echinococcus granulosus lysine specific demethylase 5A 0.0069 0.051 0.0616
Loa Loa (eye worm) TAR-binding protein 0.0131 0.1181 0.4249
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0024 0.003 0.0116
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.003 0.0116
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.1181 0.4249
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0024 0.003 0.0157
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0125 0.0475
Plasmodium vivax endoplasmin, putative 0.0051 0.0315 0.1203
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0024 0.003 0.0116
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Brugia malayi Thioredoxin reductase 0.0264 0.2621 1
Leishmania major heat shock protein, putative 0.0034 0.0132 0.0502
Leishmania major hypothetical protein, conserved 0.0024 0.003 0.0116
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0315 0.1214
Trichomonas vaginalis mercuric reductase, putative 0.0092 0.0757 0.2913
Entamoeba histolytica heat shock protein 90, putative 0.0051 0.0315 1
Plasmodium falciparum glutathione reductase 0.0264 0.2621 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0034 0.0132 0.4174
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0024 0.003 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0768 0.0863
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.037 0.0447
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.003 0.0116
Trypanosoma cruzi Heat shock protein 83, putative 0.0051 0.0315 0.1203
Loa Loa (eye worm) hypothetical protein 0.0173 0.1632 0.587
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0024 0.003 0.0116
Mycobacterium tuberculosis Probable reductase 0.0602 0.6277 0.8963
Brugia malayi RNA binding protein 0.0131 0.1181 0.4507
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0357 0.1361
Treponema pallidum thioredoxin reductase (trxB) 0.0024 0.003 0.0402
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0024 0.003 0.0117
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0095 0.0362
Leishmania major trypanothione reductase 0.0264 0.2621 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0024 0.003 0.0116
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Schistosoma mansoni aldehyde dehydrogenase 0.0201 0.1935 0.2175
Brugia malayi heat shock protein 90 0.0051 0.0315 0.1203
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0092 0.0757 0.3911
Toxoplasma gondii aldehyde dehydrogenase 0.0201 0.1935 0.7382
Onchocerca volvulus 0.0033 0.0125 0.0367
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0024 0.003 0.0116
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0043 0.0236 0.0285
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0024 0.003 0.0116
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.037 0.037
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0024 0.003 0.0116
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0067 0.0494 0.1886
Schistosoma mansoni hypothetical protein 0.0343 0.3474 0.3904
Trypanosoma brucei heat shock protein 90, putative 0.0051 0.0315 0.1203
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0092 0.0757 0.2887
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0357 0.1361
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0315 0.1203
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Echinococcus granulosus intermediate filament protein 0.003 0.0095 0.0114
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0092 0.0757 0.0914
Schistosoma mansoni hypothetical protein 0.0194 0.1858 0.2089
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0125 0.014
Leishmania major hypothetical protein, conserved 0.0024 0.003 0.0116
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.067 0.7003 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0267 0.2652 0.3202
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0315 0.1203
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0024 0.003 0.0116
Echinococcus multilocularis lamin dm0 0.003 0.0095 0.0095
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0357 0.1361
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.037 0.1322
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0201 0.1935 0.2763
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0024 0.003 0.0402
Brugia malayi follicle stimulating hormone receptor 0.0224 0.2188 0.8348
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0453 0.0547
Toxoplasma gondii heat shock protein 75, putative 0.0034 0.0132 0.0502
Toxoplasma gondii heat shock protein 90, putative 0.0051 0.0315 0.1203
Onchocerca volvulus 0.0262 0.2598 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0092 0.0757 0.2887
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0024 0.003 0.0157
Toxoplasma gondii NADPH-glutathione reductase 0.0092 0.0757 0.2887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0768 0.0863
Schistosoma mansoni glutamate synthase 0.0024 0.003 0.0034
Onchocerca volvulus 0.0056 0.037 0.1322
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0034 0.0132 0.0132
Toxoplasma gondii heat shock protein HSP90 0.0051 0.0315 0.1203
Schistosoma mansoni heat shock protein 0.0051 0.0315 0.0354
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0768 0.0768
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0453 0.0453
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0024 0.003 0.0116
Trypanosoma brucei heat shock protein 84, putative 0.0034 0.0132 0.0502
Giardia lamblia Glutamate synthase 0.0024 0.003 0.0402
Schistosoma mansoni lamin 0.003 0.0095 0.0107
Leishmania major hypothetical protein, conserved 0.0054 0.0357 0.1361
Echinococcus multilocularis heat shock protein 0.0051 0.0315 0.0315
Brugia malayi TAR-binding protein 0.0131 0.1181 0.4507
Plasmodium falciparum ferrodoxin reductase-like protein 0.0024 0.003 0.0116
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0264 0.2621 0.3743
Trypanosoma cruzi NADH dehydrogenase, putative 0.0024 0.003 0.0116
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0092 0.0757 0.2887
Schistosoma mansoni sulfide quinone reductase 0.0024 0.003 0.0034
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0024 0.003 0.0965
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0024 0.003 0.0116
Schistosoma mansoni aldehyde dehydrogenase 0.0201 0.1935 0.2175
Schistosoma mansoni intermediate filament proteins 0.003 0.0095 0.0107
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0125 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0768 0.0863
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0125 0.0125
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1181 0.1328
Mycobacterium ulcerans aldehyde dehydrogenase 0.0201 0.1935 1
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0024 0.003 0.0116
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0125 0.014
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0092 0.0757 0.2887
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0024 0.003 0.003
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0092 0.0757 0.2887
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0109
Trypanosoma cruzi heat shock protein 85, putative 0.0043 0.0236 0.0902
Mycobacterium tuberculosis Probable oxidoreductase 0.067 0.7003 1
Trypanosoma brucei heat shock protein 90, putative 0.0051 0.0315 0.1203
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.2188 0.787
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0024 0.003 0.0109
Brugia malayi hypothetical protein 0.0054 0.0357 0.1361
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0095 0.0341
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.2781 0.3125
Onchocerca volvulus 0.003 0.0095 0.0251
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0024 0.003 0.0965
Echinococcus multilocularis geminin 0.0194 0.1858 0.1858
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Echinococcus granulosus tar DNA binding protein 0.0131 0.1181 0.1427
Trichomonas vaginalis endoplasmin, putative 0.0037 0.0165 0.0636
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0024 0.003 0.003
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.037 0.0416
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Loa Loa (eye worm) hypothetical protein 0.0054 0.0357 0.1283
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0224 0.2187 0.2187
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0602 0.6277 0.8963
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.067 0.7003 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.2781 0.2781
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Mycobacterium ulcerans glutamate synthase subunit beta 0.0024 0.003 0.0157
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Mycobacterium ulcerans NADH dehydrogenase 0.0024 0.003 0.0157
Plasmodium falciparum heat shock protein 90, putative 0.0192 0.1843 0.703
Brugia malayi Pre-SET motif family protein 0.0033 0.0125 0.0475
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0453 0.0509
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.051 0.1835
Loa Loa (eye worm) heat shock protein 75 0.0034 0.0132 0.0474
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0024 0.003 0.0116
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0125 0.014
Plasmodium vivax SET domain protein, putative 0.0033 0.0125 0.0475
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0357 0.1361
Loa Loa (eye worm) heat shock protein 90 0.0051 0.0315 0.1134
Echinococcus multilocularis heat shock protein 90 0.0051 0.0315 0.0315
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0024 0.003 0.0402
Plasmodium vivax thioredoxin reductase, putative 0.0264 0.2621 1
Brugia malayi glutathione reductase 0.0264 0.2621 1
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0024 0.003 0.0117
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0024 0.003 0.0043
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0236 0.091
Plasmodium falciparum glutathione reductase 0.0092 0.0757 0.2887
Schistosoma mansoni disulfide oxidoreductase 0.0024 0.003 0.0034
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Loa Loa (eye worm) hypothetical protein 0.0056 0.037 0.133
Schistosoma mansoni hypothetical protein 0.0194 0.1858 0.2089
Trypanosoma brucei Heat shock protein 83, putative 0.0051 0.0315 0.1203
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0024 0.003 0.0157
Plasmodium vivax heat shock protein 90, putative 0.0034 0.0132 0.0502
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0092 0.0757 0.1081
Brugia malayi glutamate synthase 0.0024 0.003 0.0116
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0092 0.0757 0.3911
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0282 0.1085
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0201 0.1935 0.1935
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0024 0.003 0.0157
Trichomonas vaginalis glutathione reductase, putative 0.0092 0.0757 0.2913
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.003 0.0116
Mycobacterium ulcerans dehydrogenase 0.0024 0.003 0.0157
Trypanosoma cruzi trypanothione reductase, putative 0.0092 0.0757 0.2887
Brugia malayi Pre-SET motif family protein 0.023 0.2254 0.86
Trypanosoma cruzi NADH dehydrogenase, putative 0.0024 0.003 0.0116
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0024 0.003 0.0965
Treponema pallidum heat shock protein 90 0.0048 0.0282 0.3724
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0224 0.2187 0.264
Loa Loa (eye worm) endoplasmin 0.0051 0.0315 0.1134
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.037 0.0416
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0024 0.003 0.0043
Echinococcus granulosus endoplasmin 0.0048 0.0282 0.034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0125 0.014
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0024 0.003 0.003
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0024 0.003 0.0116
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0048 0.0282 0.036
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0024 0.003 0.0402
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0024 0.003 0.0043
Brugia malayi mbt repeat family protein 0.0056 0.037 0.1411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Toxoplasma gondii selenide, water dikinase 0.0024 0.003 0.0116
Plasmodium falciparum endoplasmin, putative 0.0037 0.0165 0.0631
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0069 0.051 0.0616
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0067 0.0494 0.1886
Brugia malayi hypothetical protein 0.0173 0.1632 0.6226
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0315 0.1203
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0092 0.0757 0.2887
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0024 0.003 0.003
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1181 0.1328
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0024 0.003 0.0116
Plasmodium falciparum heat shock protein 90, putative 0.0029 0.0086 0.0329
Mycobacterium ulcerans heat shock protein 90 0.0048 0.0282 0.1456
Giardia lamblia NADH oxidase lateral transfer candidate 0.0092 0.0757 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0024 0.003 0.0117
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0024 0.003 0.0116
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0024 0.003 0.0157
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0092 0.0757 0.2887
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0024 0.003 0.003
Trypanosoma brucei trypanothione reductase 0.0264 0.2621 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.051 0.0573
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0602 0.6277 0.8963
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0024 0.003 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1181 0.1328
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.2254 0.8108
Leishmania major hypothetical protein, conserved 0.0024 0.003 0.0116
Mycobacterium ulcerans hypothetical protein 0.0024 0.003 0.0157
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0024 0.003 0.0116
Echinococcus multilocularis glutamate synthase 0.0024 0.003 0.003
Loa Loa (eye worm) glutathione reductase 0.0264 0.2621 0.9428
Trichomonas vaginalis glutamate synthase, putative 0.0024 0.003 0.0117
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0282 0.1085
Trichomonas vaginalis apoptosis inducing factor, putative 0.0024 0.003 0.0117
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0024 0.003 0.0037
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0024 0.003 0.0116
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0048 0.0282 0.0402
Brugia malayi mbt repeat family protein 0.0056 0.037 0.1411
Brugia malayi Hsp90 protein 0.0034 0.0132 0.0502
Schistosoma mansoni lamin 0.003 0.0095 0.0107
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0024 0.003 0.0157
Trypanosoma cruzi heat shock protein 90, putative 0.0051 0.0315 0.1203
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0453 0.1729
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Loa Loa (eye worm) programmed cell death 8 0.0024 0.003 0.0109
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1181 0.1328
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0201 0.1935 0.2337
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.2781 0.3358
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0024 0.003 0.0965
Echinococcus multilocularis heat shock protein 90 0.0043 0.0236 0.0236
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0768 0.2929
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0024 0.003 0.0116
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0024 0.003 0.0037
Entamoeba histolytica thioredoxin reductase, putative 0.0024 0.003 0.0965
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0024 0.003 0.0965
Schistosoma mansoni microtubule-associated protein tau 0.0788 0.8281 0.9307
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Plasmodium vivax heat shock protein, putative 0.0192 0.1843 0.703
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0092 0.0757 1
Brugia malayi Endoplasmin precursor 0.0051 0.0315 0.1203
Brugia malayi intermediate filament protein 0.003 0.0095 0.0362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0768 0.0768
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.051 0.051
Entamoeba histolytica heat shock protein 90, putative 0.0051 0.0315 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0192 0.1843 0.703
Echinococcus granulosus geminin 0.0194 0.1858 0.2244
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0024 0.003 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0092 0.0757 0.2887
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0092 0.0757 0.2887
Plasmodium vivax heat shock protein 86, putative 0.0051 0.0315 0.1203
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0024 0.003 0.0116
Loa Loa (eye worm) MBCTL1 0.0063 0.0453 0.163
Schistosoma mansoni heat shock protein 0.0034 0.0132 0.0148
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0092 0.0757 0.2887
Treponema pallidum oxidoreductase 0.0024 0.003 0.0402
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0092 0.0757 0.2887
Echinococcus granulosus lamin 0.003 0.0095 0.0114
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.037 0.0447
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.037 0.037
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0602 0.6277 0.8963
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0024 0.003 0.0117
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0092 0.0757 0.085
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0024 0.003 0.0043
Leishmania major heat shock protein 83-1 0.0051 0.0315 0.1203
Plasmodium vivax ferrodoxin reductase, putative 0.0024 0.003 0.0116
Mycobacterium ulcerans monoxygenase 0.0024 0.003 0.0157
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Trypanosoma brucei heat shock protein, putative 0.0051 0.0315 0.1203
Onchocerca volvulus 0.003 0.0095 0.0251
Loa Loa (eye worm) hypothetical protein 0.0063 0.0453 0.163
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0024 0.003 0.0402
Entamoeba histolytica disulphide oxidoreductase, putative 0.0024 0.003 0.0965
Echinococcus multilocularis tar DNA binding protein 0.0131 0.1181 0.1181
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0048 0.0282 0.1075
Mycobacterium ulcerans aldehyde dehydrogenase 0.0201 0.1935 1
Brugia malayi hypothetical protein 0.0128 0.1153 0.4399
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0092 0.0757 0.2887
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0024 0.003 0.0116
Giardia lamblia Grp94/Hsp90 0.0048 0.0282 0.3724
Brugia malayi hypothetical protein 0.0035 0.0148 0.0565
Echinococcus multilocularis lamin 0.003 0.0095 0.0095
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0125 0.015
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0201 0.1935 0.7382
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0602 0.6277 0.8958

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 180 nM Inhibition of calcium ionophore-induced LTB4 synthesis in human whole blood after 15 mins by ELISA ChEMBL. 18394906
IC50 (binding) = 210 nM Inhibition of human recombinant LTA4-h by peptidase assay ChEMBL. 18394906

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18394906

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

1 literature reference was collected for this gene.

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