Detailed information for compound 1010874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.497 | Formula: C23H21N3O2S
  • H donors: 2 H acceptors: 1 LogP: 4.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
  • InChi: 1S/C23H21N3O2S/c1-28-22-14-8-6-12-18(22)20-15-19(17-11-5-7-13-21(17)27)25-26(20)23(29)24-16-9-3-2-4-10-16/h2-14,20,27H,15H2,1H3,(H,24,29)
  • InChiKey: YJYMBEITSQJHQW-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

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
Mycobacterium ulcerans bifunctional acetaldehyde-CoA/alcohol dehydrogenase 0.001 0.0024 0.0026
Brugia malayi Aldehyde dehydrogenase protein 4 0.001 0.0024 0.0028
Leishmania major aldehyde dehydrogenase, putative 0.001 0.0024 0.0098
Trypanosoma brucei aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.001 0.0024 0.0046
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0249 0.2503
Loa Loa (eye worm) hypothetical protein 0.0049 0.0574 0.0654
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0239 0.0273
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0675 0.9385 1
Onchocerca volvulus 0.0091 0.1164 0.1164
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0382 0.0407
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0249 0.2503
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0027 0.0268 0.0285
Echinococcus multilocularis thioredoxin glutathione reductase 0.008 0.101 0.1903
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.001 0.0024 0.0244
Schistosoma mansoni aldehyde dehydrogenase 0.001 0.0024 0.0046
Echinococcus multilocularis muscleblind protein 1 0.0153 0.2034 0.3835
Trypanosoma brucei trypanothione reductase 0.0079 0.0995 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0034 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0034 0.0038
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.2725 0.3107
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.001 0.0024 0.0046
Mycobacterium leprae conserved hypothetical protein 0.0022 0.0192 0.0709
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.001 0.0024 0.0046
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.02 0.2704 1
Schistosoma mansoni lamin 0.0025 0.0239 0.0451
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0034 0.0063
Mycobacterium tuberculosis Probable pyrroline-5-carboxylate dehydrogenase RocA 0.001 0.0024 0.0026
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0034 0.0063
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0034 0.0063
Loa Loa (eye worm) hypothetical protein 0.0026 0.0249 0.0284
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.001 0.0024 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0231 0.5576
Giardia lamblia Pyruvate kinase 0.0018 0.0139 0.3194
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0023 0.0044
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.019
Loa Loa (eye worm) hypothetical protein 0.0034 0.0355 0.0405
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0382 0.0407
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0028
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0268 0.2688
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2725 0.5137
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0414 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0382 0.0721
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.001 0.0024 0.0586
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.02 0.2704 0.2881
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0034 0.0038
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.001 0.0024 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Plasmodium vivax glutathione reductase, putative 0.0079 0.0995 0.8544
Mycobacterium tuberculosis Probable dehydrogenase 0.018 0.2421 0.2579
Mycobacterium tuberculosis Probable methylmalonate-semialdehyde dehydrogenase MmsA (methylmalonic acid semialdehyde dehydrogenase) (MMSDH) 0.001 0.0024 0.0026
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0231 0.0263
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0022 0.0192 0.1928
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.001 0.0024 0.0046
Echinococcus multilocularis muscleblind protein 0.0153 0.2034 0.3835
Echinococcus multilocularis lamin 0.0025 0.0239 0.0451
Plasmodium falciparum thioredoxin reductase 0.0079 0.0995 1
Loa Loa (eye worm) thioredoxin reductase 0.0079 0.0995 0.1134
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0414 0.0414
Brugia malayi Muscleblind-like protein 0.0153 0.2034 0.2319
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2725 0.5137
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0101 0.0115
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.019
Schistosoma mansoni hypothetical protein 0.001 0.0024 0.0046
Mycobacterium ulcerans aldehyde dehydrogenase 0.001 0.0024 0.0026
Brugia malayi ecdysteroid receptor 0.0011 0.0034 0.0038
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0034 0.0038
Schistosoma mansoni cpg binding protein 0.0029 0.0284 0.0536
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0358 0.0382
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0034 0.0063
Echinococcus granulosus dnaJ subfamily B 0.0385 0.5305 1
Loa Loa (eye worm) inositol-1 0.0038 0.0414 0.0472
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0027 0.0268 0.0285
Loa Loa (eye worm) hypothetical protein 0.0012 0.0048 0.0055
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0382 0.0436
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0034 0.0038
Brugia malayi aldehyde dehydrogenase 0.001 0.0024 0.0028
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.001 0.0024 0.0244
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0027 0.0268 0.2297
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0034 0.0038
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0414 0.1673
Echinococcus granulosus lamin 0.0025 0.0239 0.0451
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0034 0.0063
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0382 0.0436
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.001 0.0024 0.0046
Schistosoma mansoni inositol monophosphatase 0.0038 0.0414 0.0781
Leishmania major hypothetical protein, conserved 0.0026 0.0249 0.1007
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.065 0.2628
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0045 0.0051
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.001 0.0024 0.0026
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase [NADP+] dependent, GabD1 0.001 0.0024 0.0026
Echinococcus multilocularis pyruvate kinase 0.0018 0.0139 0.0262
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.04 0.0755
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.001 0.0024 0.0046
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0012 0.0054 0.0103
Brugia malayi Thioredoxin reductase 0.0079 0.0995 0.1134
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.001 0.0024 0.009
Echinococcus granulosus pyruvate kinase 0.0036 0.0382 0.0721
Toxoplasma gondii aldehyde dehydrogenase (NAD) family protein 0.001 0.0024 0.0098
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0027 0.0268 0.2688
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.1164 0.2195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.1164 0.2195
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0034 0.0063
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0034 0.0063
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0022 0.0192 0.0204
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0414 0.4161
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.001 0.0024 0.0244
Mycobacterium tuberculosis Probable oxidoreductase 0.02 0.2704 0.2881
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0027 0.0268 0.0504
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.1164 0.2195
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0239 0.0273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0736 0.1388
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0034 0.0063
Toxoplasma gondii methylmalonate-semialdehyde dehydrogenase [acylating], putative 0.001 0.0024 0.0098
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0139 0.1191
Onchocerca volvulus 0.0011 0.0034 0.0033
Schistosoma mansoni hypothetical protein 0.0034 0.0355 0.0669
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0034 0.0063
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0101 0.0115
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.019
Trichomonas vaginalis glutathione reductase, putative 0.0027 0.0268 0.0267
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0139 0.1394
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0034 0.0063
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0184 0.2473 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0027 0.0268 0.1081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0034 0.0038
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0027 0.0268 0.0285
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.001 0.0024 0.0586
Loa Loa (eye worm) hypothetical protein 0.0025 0.0231 0.0263
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.001 0.0024 0.0026
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0034 0.0063
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0034 0.0033
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0249 0.1007
Mycobacterium tuberculosis Probable reductase 0.018 0.2421 0.2579
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0027 0.0268 0.2688
Echinococcus multilocularis tar DNA binding protein 0.0202 0.2725 0.5137
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.2725 0.3107
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0632 0.8773 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0382 0.0436
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0382 0.0382
Mycobacterium ulcerans gamma-glutamyl phosphate reductase 0.001 0.0024 0.0026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.1164 0.2195
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.019
Giardia lamblia NADH oxidase lateral transfer candidate 0.0027 0.0268 0.6789
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0047 0.0053
Loa Loa (eye worm) TAR-binding protein 0.0202 0.2725 0.3107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0048 0.0055
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.018 0.2421 0.2579
Leishmania major aldehyde dehydrogenase, putative 0.001 0.0024 0.0098
Plasmodium vivax thioredoxin reductase, putative 0.0079 0.0995 0.8544
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0022 0.0192 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0034 0.0038
Echinococcus multilocularis cpg binding protein 0.0029 0.0284 0.0536
Loa Loa (eye worm) aldehyde dehydrogenase 0.001 0.0024 0.0028
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0033 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0091 0.1164 0.2195
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0414 0.0441
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0034 0.0038
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0022 0.0192 0.6889
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0414 0.0781
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0574 0.0654
Plasmodium falciparum glutathione reductase 0.0079 0.0995 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0034 0.0063
Schistosoma mansoni coup transcription factor 0.0011 0.0034 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0034 0.0038
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0034 0.0063
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0034 0.0033
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0382 0.0436
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.04 0.0755
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0023 0.0044
Onchocerca volvulus 0.0025 0.0239 0.0239
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0034 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0034 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.1164 0.2195
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0249 0.2503
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.001 0.0024 0.0046
Entamoeba histolytica hypothetical protein 0.0022 0.0192 0.4632
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0382 0.3843
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Echinococcus multilocularis pyruvate kinase 0.0036 0.0382 0.0721
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.018 0.2421 0.2579
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Schistosoma mansoni cpg binding protein 0.0029 0.0284 0.0536
Brugia malayi nuclear receptor NHR-88 0.0011 0.0034 0.0038
Echinococcus multilocularis musashi 0.0025 0.0239 0.0451
Echinococcus multilocularis GPCR, family 2 0.0016 0.0101 0.019
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0034 0.0038
Entamoeba histolytica hypothetical protein 0.0037 0.04 0.9671
Mycobacterium tuberculosis Possible succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD2 0.001 0.0024 0.0026
Toxoplasma gondii gamma-glutamyl phosphate reductase, putative 0.001 0.0024 0.0098
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0034 0.0038
Echinococcus granulosus pyruvate kinase 0.0036 0.0382 0.0721
Schistosoma mansoni intermediate filament proteins 0.0025 0.0239 0.0451
Echinococcus granulosus muscleblind protein 0.0153 0.2034 0.3835
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.018 0.2421 0.8952
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0034 0.0038
Echinococcus granulosus intermediate filament protein 0.0025 0.0239 0.0451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0034 0.0038
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0382 0.1546
Trypanosoma brucei aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Echinococcus multilocularis dnaJ subfamily B 0.0385 0.5305 1
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Loa Loa (eye worm) RNA binding protein 0.0202 0.2725 0.3107
Brugia malayi Pre-SET motif family protein 0.0091 0.1164 0.1327
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0101 0.0115
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0047 0.0088
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0027 0.0268 0.2688
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0382 0.0382
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1616 0.1842
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0249 0.2139
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0034 0.0063
Leishmania major pyruvate kinase 0.0036 0.0382 0.1546
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0414 0.4161
Brugia malayi RNA binding protein 0.0202 0.2725 0.3107
Onchocerca volvulus 0.0027 0.0263 0.0262
Leishmania major phosphopantetheinyl transferase-like protein 0.0022 0.0192 0.0775
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.001 0.0024 0.0046
Leishmania major pyrroline-5-carboxylate synthetase-like protein 0.001 0.0024 0.0098
Plasmodium falciparum pyruvate kinase 0.0036 0.0382 0.3843
Echinococcus granulosus GPCR family 2 0.0016 0.0101 0.019
Mycobacterium ulcerans piperideine-6-carboxilic acid dehydrogenase Pcd 0.001 0.0024 0.0026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0574 0.0654
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.001 0.0024 0.0026
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0027 0.0268 0.0285
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0249 0.2503
Echinococcus granulosus betaine aldehyde dehydrogenase 0.001 0.0024 0.0046
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0034 0.0038
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.019
Schistosoma mansoni aldehyde dehydrogenase 0.0184 0.2473 0.4662
Trichomonas vaginalis mercuric reductase, putative 0.0027 0.0268 0.0267
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0034 0.0063
Brugia malayi hypothetical protein 0.0026 0.0249 0.0284
Loa Loa (eye worm) hypothetical protein 0.0153 0.2034 0.2319
Schistosoma mansoni hypothetical protein 0.0037 0.04 0.0755
Brugia malayi hypothetical protein 0.0017 0.0119 0.0136
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0034 0.0063
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0034 0.0063
Brugia malayi intermediate filament protein 0.0025 0.0239 0.0273
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.1164 0.2195
Echinococcus granulosus cpg binding protein 0.0029 0.0284 0.0536
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.001 0.0024 0.0244
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.002 0.0165 0.0188
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0034 0.0063
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0078 0.0984 0.1122
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2725 0.5137
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0079 0.0995 0.106
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0268 0.6239
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.001 0.0024 0.009
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0249 0.2503
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0023 0.0044
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0091 0.1164 0.4707
Echinococcus granulosus thioredoxin glutathione reductase 0.008 0.101 0.1903
Loa Loa (eye worm) hypothetical protein 0.0153 0.2034 0.2319
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.001 0.0024 0.0046
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.019
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0414 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0078 0.0984 0.1855
Echinococcus multilocularis pyruvate kinase 0.0018 0.0139 0.0262
Onchocerca volvulus Aldehyde dehydrogenase homolog 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0574 0.0654
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0022 0.0192 0.0204
Brugia malayi Pre-SET motif family protein 0.0632 0.8773 1
Onchocerca volvulus 0.0025 0.0239 0.0239
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.001 0.0024 0.0028
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.001 0.0024 0.0028
Brugia malayi MH2 domain containing protein 0.0123 0.1616 0.1842
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0034 0.0063
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.001 0.0024 0.0024
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0047 0.0088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0184 0.2473 0.4662
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.001 0.0024 0.0026
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0382 0.3284
Schistosoma mansoni aldehyde dehydrogenase 0.001 0.0024 0.0046
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0034 0.0063
Schistosoma mansoni pyruvate kinase 0.0018 0.0139 0.0262
Schistosoma mansoni aldehyde dehydrogenase 0.001 0.0024 0.0046
Trypanosoma cruzi trypanothione reductase, putative 0.0079 0.0995 1
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0382 0.0382
Mycobacterium tuberculosis Probable aldehyde dehydrogenase AldC 0.001 0.0024 0.0026
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0027 0.0268 0.1081
Treponema pallidum NADH oxidase 0.0027 0.0268 1
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Plasmodium vivax SET domain protein, putative 0.0091 0.1164 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0034 0.0063
Echinococcus granulosus pyruvate kinase 0.0018 0.0139 0.0262
Schistosoma mansoni hypothetical protein 0.0012 0.0047 0.0088
Plasmodium falciparum glutathione reductase 0.0027 0.0268 0.2688
Mycobacterium tuberculosis Probable gamma-glutamyl phosphate reductase protein ProA (GPR) (glutamate-5-semialdehyde dehydrogenase) (glutamyl-gamma-semialde 0.001 0.0024 0.0026
Schistosoma mansoni aldehyde dehydrogenase 0.001 0.0024 0.0046
Loa Loa (eye worm) hypothetical protein 0.0025 0.0239 0.0273
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.2473 0.2635
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0034 0.0038
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0414 0.4161
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.002 0.0165 0.0188
Mycobacterium tuberculosis Putative ferredoxin reductase 0.018 0.2421 0.2579
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0382 0.3843
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0139 0.056
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0268 0.2688
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.001 0.0024 0.0586
Loa Loa (eye worm) hypothetical protein 0.0078 0.0984 0.1122
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0414 0.1673
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0034 0.0063
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0358 0.1324
Mycobacterium leprae PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE 0.001 0.0024 0.009
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.001 0.0024 0.0586
Brugia malayi TAR-binding protein 0.0202 0.2725 0.3107
Toxoplasma gondii aldehyde dehydrogenase 0.0184 0.2473 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Loa Loa (eye worm) glutathione reductase 0.0079 0.0995 0.1134
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0268 0.2688
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.001 0.0024 0.0244
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0028
Echinococcus multilocularis pyruvate kinase 0.0028 0.0277 0.0522
Echinococcus multilocularis lamin dm0 0.0025 0.0239 0.0451
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.02 0.2704 0.2881
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0268 0.2688
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1616 0.1842
Leishmania major pyruvate kinase 0.0036 0.0382 0.1546
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0027 0.0268 0.0305
Leishmania major trypanothione reductase 0.0079 0.0995 0.4021
Schistosoma mansoni hypothetical protein 0.0385 0.5305 1
Schistosoma mansoni lamin 0.0025 0.0239 0.0451
Leishmania major delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.001 0.0024 0.0098
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0034 0.0038
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0027 0.0268 0.3968
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0034 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2725 0.5137
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0012 0.0054 0.0103
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.001 0.0024 0.0244
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.001 0.0024 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0034 0.0038
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0414 0.0781
Entamoeba histolytica hypothetical protein 0.0037 0.04 0.9671
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0414 0.0414
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.019
Mycobacterium ulcerans aldehyde dehydrogenase (NAD+) dependent 0.001 0.0024 0.0026
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0355 0.0405
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0027 0.0268 0.2688
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0034 0.0063
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0073 0.0084
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0034 0.0063
Echinococcus granulosus L aminoadipate semialdehyde 0.0078 0.0984 0.1855
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.001 0.0024 0.0244
Trypanosoma brucei hypothetical protein, conserved 0.0022 0.0192 0.1928
Brugia malayi hypothetical protein 0.0037 0.04 0.0456
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0239 0.0273
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0382 0.0382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.2473 0.2635
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.018 0.2421 0.2579
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0382 0.3843
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0382 0.3843
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0034 0.0033
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.2473 0.2635
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0034 0.0063
Onchocerca volvulus 0.0078 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0091 0.1164 0.1327
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0078 0.0984 0.1855
Loa Loa (eye worm) hypothetical protein 0.0016 0.0101 0.0115
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0073 0.0084
Schistosoma mansoni pyruvate kinase 0.0036 0.0382 0.0721
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0027 0.0268 0.1081
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0023 0.0044
Plasmodium falciparum thioredoxin reductase 0.0027 0.0268 0.2688
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0047 0.0088
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.1081
Brugia malayi CXXC zinc finger family protein 0.0027 0.0263 0.0299
Chlamydia trachomatis pyruvate kinase 0.0036 0.0382 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0027 0.0268 0.0504
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0675 0.9385 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0034 0.0038
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.2688
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.001 0.0024 0.0244
Toxoplasma gondii thioredoxin reductase 0.0079 0.0995 0.4021
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0268 0.2688
Mycobacterium ulcerans gamma-aminobutyraldehyde dehydrogenase 0.001 0.0024 0.0026
Brugia malayi Inositol-1 0.0038 0.0414 0.0472
Trypanosoma brucei delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.001 0.0024 0.0244
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0184 0.2473 0.4662
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.001 0.0024 0.0026
Echinococcus granulosus pyruvate kinase 0.0018 0.0139 0.0262
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0268 0.6239
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0268 0.1081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.019
Echinococcus granulosus lamin dm0 0.0025 0.0239 0.0451
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0034 0.0038
Schistosoma mansoni cpg binding protein 0.0027 0.0263 0.0495
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0184 0.2473 0.2635
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.04 0.0755
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0038
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0027 0.0268 0.0504
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.001 0.0024 0.0026
Mycobacterium ulcerans pyrroline-5-carboxylate dehydrogenase, RocA 0.001 0.0024 0.0026
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase [NADP+] dependent, PutA_2 0.001 0.0024 0.0026
Echinococcus granulosus pyruvate kinase 0.0018 0.0139 0.0262
Entamoeba histolytica hypothetical protein 0.0037 0.04 0.9671
Brugia malayi glutathione reductase 0.0079 0.0995 0.1134
Mycobacterium tuberculosis Probable aldehyde dehydrogenase (NAD+) dependent 0.001 0.0024 0.0026
Leishmania major aldehyde dehydrogenase, putative 0.001 0.0024 0.0098
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0087 0.1109 0.2091
Brugia malayi steroid hormone receptor 0.0011 0.0034 0.0038
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0382 0.1414
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0263 0.0299
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2725 0.5137
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0034 0.0063
Mycobacterium ulcerans methylmalonate semialdehyde dehydrogenase, MmsA 0.001 0.0024 0.0026
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.001 0.0024 0.0046
Schistosoma mansoni aldehyde dehydrogenase 0.001 0.0024 0.0046
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0023 0.0044
Schistosoma mansoni aldehyde dehydrogenase 0.0184 0.2473 0.4662
Giardia lamblia Pyruvate kinase 0.0036 0.0382 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0414 0.0414
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0382 0.0436
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0034 0.0063
Loa Loa (eye worm) hypothetical protein 0.0012 0.0054 0.0062
Loa Loa (eye worm) hypothetical protein 0.0025 0.0233 0.0265
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0022 0.0192 0.0775
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.001 0.0024 0.0028
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0022 0.0192 0.4298
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0034 0.0063
Echinococcus multilocularis pyruvate kinase 0.0036 0.0382 0.0721
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0047 0.0088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0382 0.0436
Toxoplasma gondii NADPH-glutathione reductase 0.0027 0.0268 0.1081
Schistosoma mansoni inositol monophosphatase 0.0038 0.0414 0.0781
Brugia malayi nuclear hormone receptor 0.0011 0.0034 0.0038
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0034 0.0063
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0022 0.0192 0.1647
Echinococcus granulosus tar DNA binding protein 0.0202 0.2725 0.5137
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.001 0.0024 0.0098
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.001 0.0024 0.0244
Echinococcus multilocularis pyruvate kinase 0.0018 0.0139 0.0262
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0027 0.0268 0.2297
Entamoeba histolytica hypothetical protein 0.0037 0.04 0.9671
Trichomonas vaginalis set domain proteins, putative 0.0719 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0034 0.0038
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0022 0.0192 0.0775

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 74.2 uM Inhibition of MAOA in rat liver homogenates preincubated for 60 mins ChEMBL. 18980841
IC50 (binding) = 419.3 uM Inhibition of MAOB in rat liver homogenates preincubated for 60 mins ChEMBL. 18980841

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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