Detailed information for compound 1561330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.579 | Formula: C25H37N3O4
  • H donors: 1 H acceptors: 3 LogP: 3.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Nc1cccc(c1)C(=O)N(C1CCCCC1)C
  • InChi: 1S/C25H37N3O4/c1-25(2,3)32-24(31)28-15-13-18(14-16-28)22(29)26-20-10-8-9-19(17-20)23(30)27(4)21-11-6-5-7-12-21/h8-10,17-18,21H,5-7,11-16H2,1-4H3,(H,26,29)
  • InChiKey: YHSLGCOVOKJNHX-UHFFFAOYSA-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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0244 0.1615 0.5405
Plasmodium falciparum thioredoxin reductase 0.0033 0.0132 0.01
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.0674 0.1605
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0087 0.051 0.0773
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0132 0.034
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0038 0.0165 0.0489
Toxoplasma gondii microneme protein MIC4 0.0014 0.0001 0.0001
Toxoplasma gondii microneme protein MIC17C 0.0014 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0165 0.0489
Mycobacterium ulcerans leucyl aminopeptidase 0.0588 0.403 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0407 0.2758 0.931
Brugia malayi Peptidase family M1 containing protein 0.0407 0.2758 0.4193
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0081 0.0466 0.1484
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0032 0.0031
Onchocerca volvulus 0.0025 0.0076 0.0117
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0034 0.0049
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.0041 0.0189 0.0189
Onchocerca volvulus 0.0018 0.0024 0.0036
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0244 0.1615 0.5405
Schistosoma mansoni 6-phosphofructokinase 0.011 0.0674 0.0681
Brugia malayi Kringle domain containing protein 0.0052 0.0266 0.0402
Onchocerca volvulus Matrix metalloproteinase homolog 0.0039 0.0175 0.0272
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0436 0.296 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0081 0.0466 0.1044
Echinococcus multilocularis leucine aminopeptidase protein 0.0588 0.403 0.4082
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0081 0.0466 0.1594
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.0674 0.1565
Trichomonas vaginalis set domain proteins, putative 0.0237 0.1566 0.5627
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Brugia malayi Pre-SET motif family protein 0.003 0.011 0.0165
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Loa Loa (eye worm) matrixin family protein 0.0043 0.02 0.0201
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0087 0.051 0.0773
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0081 0.0466 0.1594
Trypanosoma brucei pyroglutamyl-peptidase I, putative 0.0436 0.296 0.9998
Schistosoma mansoni hypothetical protein 0.0052 0.0264 0.0265
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0081 0.0466 0.1087
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0032 0.0047
Toxoplasma gondii subtilisin SUB12 0.0014 0.0001 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0266 0.0798
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.011 0.0109
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0132 0.0249
Chlamydia trachomatis cytosol aminopeptidase 0.0588 0.403 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Brugia malayi Aspartyl aminopeptidase 0.0081 0.0466 0.0708
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0087 0.051 0.0515
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0414 0.2809 0.2845
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0109 0.0077
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0081 0.0466 0.0436
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0588 0.403 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0132 0.0131
Loa Loa (eye worm) hypothetical protein 0.006 0.0323 0.0326
Echinococcus multilocularis GPCR, family 2 0.0019 0.0034 0.0032
Echinococcus granulosus leucyl aminopeptidase 0.0087 0.051 0.0514
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0244 0.1615 0.5405
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0424 0.0428
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0132 0.01
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0436 0.296 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0079 0.0048
Echinococcus granulosus aminopeptidase N 0.0924 0.639 0.6474
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1419 0.9869 1
Schistosoma mansoni flap endonuclease-1 0.0024 0.0067 0.0066
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.0674 0.0681
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0244 0.1615 0.5405
Onchocerca volvulus 0.0027 0.0089 0.0138
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0109 0.0282
Loa Loa (eye worm) TATA binding protein associated factor 0.0244 0.1615 0.1635
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0323 0.0326
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0674 0.2354
Echinococcus granulosus GPCR family 2 0.0019 0.0034 0.0032
Onchocerca volvulus 0.0052 0.0266 0.0414
Echinococcus multilocularis aspartyl aminopeptidase 0.0081 0.0466 0.0471
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0205 0.0206
Brugia malayi hypothetical protein 0.0016 0.0016 0.0022
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0217 0.1427 0.3457
Brugia malayi Peptidase family M1 containing protein 0.0244 0.1615 0.2454
Brugia malayi phosphofructokinase 0.011 0.0674 0.1023
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0081 0.0466 0.0471
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Plasmodium falciparum flap endonuclease 1 0.0026 0.0085 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0912 0.0924
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0205 0.0206
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0064 0.0351 0.0354
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0244 0.1615 0.1588
Schistosoma mansoni lamin 0.0027 0.0089 0.0089
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.1597 0.3915
Brugia malayi Matrixin family protein 0.0018 0.0024 0.0035
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0022 0.0051 0.0047
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0244 0.1615 0.1634
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0079 0.0078
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.007 0.0105
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0089 0.0089
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0087 0.051 0.0514
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0132 0.0249
Echinococcus multilocularis leucyl aminopeptidase 0.0087 0.051 0.0514
Echinococcus multilocularis leucyl aminopeptidase 0.0087 0.051 0.0514
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0132 0.0131
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.011 0.0109
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.005
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0089 0.0089
Echinococcus multilocularis expressed conserved protein 0.0043 0.0199 0.0199
Brugia malayi hypothetical protein 0.0043 0.0205 0.031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0081 0.0466 0.1594
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Onchocerca volvulus 0.003 0.011 0.017
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0109 0.7709
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0079 0.0079
Echinococcus multilocularis lamin 0.0027 0.0089 0.0089
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.1438 1 1
Echinococcus multilocularis bloom syndrome protein 0.0021 0.005 0.0048
Brugia malayi intermediate filament protein 0.0027 0.0089 0.0134
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0079 0.0048
Echinococcus multilocularis tissue type plasminogen activator 0.0052 0.0266 0.0267
Brugia malayi TATA binding protein associated factor 0.0244 0.1615 0.2454
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.1427 0.3488
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0132 0.034
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0038 0.0165 0.0489
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Echinococcus multilocularis aminopeptidase N 0.0924 0.639 0.6474
Toxoplasma gondii PAN/Apple domain-containing protein 0.0014 0.0001 0.0001
Trypanosoma cruzi Aminopeptidase M1, putative 0.0407 0.2758 0.931
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1364 0.1381
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0109 0.1197
Loa Loa (eye worm) hypothetical protein 0.0517 0.3531 0.3577
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0023
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0132 0.034
Entamoeba histolytica hypothetical protein 0.0043 0.0205 0.0634
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0244 0.1615 0.5806
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0081 0.0466 0.1484
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0032
Brugia malayi Matrixin family protein 0.0018 0.0024 0.0035
Schistosoma mansoni aminopeptidase A (M01 family) 0.0244 0.1615 0.1634
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.0569 0.0576
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0085 0.0195
Loa Loa (eye worm) hypothetical protein 0.0163 0.1043 0.1056
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0079 0.0161
Echinococcus granulosus leucine aminopeptidase protein 0.0588 0.403 0.4082
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.0569 0.1834
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0079 0.0161
Loa Loa (eye worm) hypothetical protein 0.0081 0.0466 0.0472
Leishmania major hypothetical protein, conserved 0.0052 0.0266 0.0798
Brugia malayi hypothetical protein 0.0244 0.1615 0.2454
Brugia malayi Death domain containing protein 0.0015 0.0002 0.0001
Toxoplasma gondii kringle domain-containing protein 0.0052 0.0266 0.0266
Echinococcus granulosus leukotriene A 4 hydrolase 0.1419 0.9869 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.011 0.0109
Loa Loa (eye worm) hypothetical protein 0.0015 0.0003 0.0002
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0424 0.0428
Loa Loa (eye worm) peptidase family M1 containing protein 0.0761 0.5246 0.5316
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0109 0.0077
Echinococcus granulosus leucyl aminopeptidase 0.0087 0.051 0.0514
Schistosoma mansoni intermediate filament proteins 0.0027 0.0089 0.0089
Plasmodium falciparum M17 leucyl aminopeptidase 0.0436 0.296 0.2938
Loa Loa (eye worm) hypothetical protein 0.003 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0032
Entamoeba histolytica hypothetical protein 0.0043 0.0205 0.0634
Toxoplasma gondii aminopeptidase N protein 0.1438 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0032 0.003
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0588 0.403 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0081 0.0466 0.1484
Entamoeba histolytica hypothetical protein 0.0043 0.0205 0.0634
Schistosoma mansoni hypothetical protein 0.0052 0.0266 0.0267
Echinococcus granulosus lamin dm0 0.0027 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0032
Echinococcus granulosus aspartyl aminopeptidase 0.0081 0.0466 0.0471
Loa Loa (eye worm) aminopeptidase N 0.0407 0.2758 0.2794
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0102 0.0101
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0085 0.0182
Loa Loa (eye worm) hypothetical protein 0.0052 0.0266 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0165 0.0489
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.1427 0.3488
Brugia malayi Protein kinase domain containing protein 0.0015 0.0002 0.0001
Onchocerca volvulus 0.0237 0.1567 0.2451
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Leishmania major pyroglutamyl-peptidase I (C15 family) 0.0436 0.296 0.9998
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0323 0.0489
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0674 0.2354
Plasmodium vivax glutathione reductase, putative 0.0095 0.0569 0.0568
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0085 0.5334
Schistosoma mansoni 6-phosphofructokinase 0.011 0.0674 0.0681
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.011 0.0109
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0132 0.034
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0081 0.0466 0.0465
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.0569 0.1343
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0023
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0588 0.403 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0132 0.013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.011 0.0109
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0244 0.1615 0.1614
Loa Loa (eye worm) matrixin family protein 0.0039 0.0175 0.0176
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0244 0.1615 0.1634
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0132 0.0131
Brugia malayi cytosol aminopeptidase 0.0087 0.051 0.0773
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.011 0.011
Echinococcus granulosus 6 phosphofructokinase 0.011 0.0674 0.0681
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1419 0.9869 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.1597 0.3886
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Echinococcus granulosus Ankyrin 0.0015 0.0003 0.0001
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0085 0.0084
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0033
Echinococcus multilocularis lamin dm0 0.0027 0.0089 0.0089
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0205 0.0206
Echinococcus granulosus flap endonuclease 1 0.0026 0.0085 0.0084
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0085 0.0182
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0132 0.0249
Brugia malayi Pre-SET motif family protein 0.0208 0.1364 0.2072
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Brugia malayi hypothetical protein 0.0951 0.6577 1
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.0674 0.0682
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0087 0.051 0.0515
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.007 0.0105
Loa Loa (eye worm) hypothetical protein 0.0081 0.0466 0.0472
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0323 0.0489
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.003
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0109 0.0109
Leishmania major ATP-dependent phosphofructokinase 0.011 0.0674 0.2192
Brugia malayi Protein kinase domain containing protein 0.0052 0.0266 0.0402
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0038 0.0165 0.0489
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0109 0.0108
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0588 0.403 0.4029
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0052 0.0266 0.0265
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0003 0.0001
Schistosoma mansoni hypothetical protein 0.0043 0.0205 0.0206
Echinococcus multilocularis leucyl aminopeptidase 0.0087 0.051 0.0514
Plasmodium vivax SET domain protein, putative 0.003 0.011 0.0109
Mycobacterium ulcerans aminopeptidase N PepN 0.0244 0.1615 0.3959
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0407 0.2758 0.931
Trypanosoma brucei Aminopeptidase M1, putative 0.0407 0.2758 0.931
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0081 0.0466 0.1594
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0132 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0407 0.2758 0.931
Plasmodium falciparum cysteine repeat modular protein 1 0.0052 0.0266 0.0235
Plasmodium falciparum thioredoxin reductase 0.0095 0.0569 0.0539
Loa Loa (eye worm) hypothetical protein 0.0322 0.2159 0.2187
Brugia malayi glutathione reductase 0.0095 0.0569 0.0864
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0407 0.2758 0.2793
Leishmania major trypanothione reductase 0.0095 0.0569 0.1834
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0407 0.2758 0.2793
Trypanosoma cruzi aminopeptidase, putative 0.0244 0.1615 0.5405
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0674 0.2354
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0032
Toxoplasma gondii exonuclease III APE 0.0019 0.0032 0.0032
Loa Loa (eye worm) phosphofructokinase 0.011 0.0674 0.0682
Schistosoma mansoni hypothetical protein 0.0025 0.0076 0.0075
Trypanosoma brucei aminopeptidase, putative 0.0087 0.051 0.1631
Onchocerca volvulus 0.0924 0.639 1
Trichomonas vaginalis hypothetical protein 0.0038 0.0165 0.0489
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0002 0.0001
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.0674 0.0682
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0109 0.0109
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0436 0.296 1
Onchocerca volvulus Matrilysin homolog 0.0018 0.0024 0.0036
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.0674 0.2192
Loa Loa (eye worm) hypothetical protein 0.0027 0.0089 0.0089
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0109 0.0109
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0002 0.0002
Brugia malayi Matrixin family protein 0.0043 0.02 0.0302
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.011 0.0109
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0042 0.0195 0.0195
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0407 0.2758 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0674 0.2354
Loa Loa (eye worm) hypothetical protein 0.0017 0.0019 0.0019
Plasmodium falciparum glutathione reductase 0.0033 0.0132 0.01
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0022 0.0051 0.0076
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0132 0.0199
Brugia malayi hypothetical protein 0.0123 0.0767 0.1164
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0132 0.0249
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0034 0.0049
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0018 0.0024 0.0022
Brugia malayi hypothetical protein 0.0026 0.0079 0.0119
Onchocerca volvulus 0.0027 0.0089 0.0138
Mycobacterium ulcerans aminopeptidase N PepN 0.0407 0.2758 0.6819
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0674 0.2354
Echinococcus granulosus expressed conserved protein 0.0043 0.0199 0.0199
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0132 0.034
Echinococcus granulosus intermediate filament protein 0.0027 0.0089 0.0089
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.0569 0.0575
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0087 0.051 0.0773
Brugia malayi Hemopexin family protein 0.0025 0.0076 0.0113
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0244 0.1615 0.5405
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0163 0.1043 0.3453
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0034 0.0033
Toxoplasma gondii hypothetical protein 0.0014 0.0001 0.0001
Trypanosoma brucei aminopeptidase, putative 0.0244 0.1615 0.5405
Brugia malayi Matrixin family protein 0.0018 0.0024 0.0035
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.1597 0.3915
Toxoplasma gondii microneme protein MIC17A 0.0014 0.0001 0.0001
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0002 0.000000014932
Brugia malayi POT family protein 0.0041 0.019 0.0288
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0032 0.003
Loa Loa (eye worm) RecQ helicase 0.0021 0.005 0.0049
Brugia malayi MH2 domain containing protein 0.0144 0.0912 0.1386
Loa Loa (eye worm) matrix metalloproteinase 0.0018 0.0024 0.0023
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.005 0.0065
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0132 0.0249
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0032
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0109 0.0108
Toxoplasma gondii leucyl aminopeptidase LAP 0.0588 0.403 0.403
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 0.0436 0.296 0.9998
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0079 0.0161
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0407 0.2758 0.931
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0912 0.0924
Brugia malayi 6-phosphofructokinase 0.011 0.0674 0.1023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0079 0.0079
Brugia malayi Thioredoxin reductase 0.0095 0.0569 0.0864
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0081 0.0466 0.1484
Loa Loa (eye worm) hypothetical protein 0.0027 0.0086 0.0086
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.0569 0.0568
Brugia malayi Peptidase family M1 containing protein 0.0924 0.639 0.9715
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0089 0.0134
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0436 0.296 1
Loa Loa (eye worm) hypothetical protein 0.068 0.4675 0.4736
Plasmodium falciparum glutathione reductase 0.0095 0.0569 0.0539
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0132 0.013
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0081 0.0466 0.0471
Treponema pallidum NADH oxidase 0.0033 0.0132 0.1553
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.0569 0.0575
Loa Loa (eye worm) hypothetical protein 0.0244 0.1615 0.1635
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0163 0.1043 0.1055
Toxoplasma gondii aminopeptidase N, putative 0.1438 1 1
Toxoplasma gondii microneme protein, putative 0.0014 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0163 0.1043 0.1056
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0132 0.0058
Trypanosoma brucei Aminopeptidase M1, putative 0.0407 0.2758 0.931
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0087 0.051 0.0514
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0085 0.0085
Trypanosoma cruzi aminopeptidase, putative 0.0407 0.2758 0.931
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Brugia malayi Flap endonuclease-1 0.0026 0.0085 0.0128
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0085 0.0084
Leishmania major hypothetical protein, conserved 0.0026 0.0079 0.0161
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0132 0.0249
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0132 0.034
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Echinococcus granulosus lamin 0.0027 0.0089 0.0089
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0018 0.0016
Echinococcus multilocularis Ankyrin 0.0015 0.0003 0.0001
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Echinococcus multilocularis musashi 0.0027 0.0089 0.0089
Mycobacterium ulcerans hydrolase 0.0022 0.0051 0.0047
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.0674 0.1605
Entamoeba histolytica aminopeptidase, putative 0.0407 0.2758 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0064 0.0351 0.0354
Schistosoma mansoni leucine aminopeptidase 0.0087 0.051 0.0514
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.0674 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0002 0.000000014932
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0132 0.0366
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0674 0.2354
Echinococcus granulosus tissue type plasminogen activator 0.0052 0.0266 0.0267
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1419 0.9869 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0189 0.0285
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0002 0.000000014932
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0165 0.0489
Toxoplasma gondii PAN domain-containing protein 0.0014 0.0001 0.0001
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0132 0.034
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.1597 0.3915
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0109 0.0282
Loa Loa (eye worm) POT family protein 0.0041 0.019 0.0192
Onchocerca volvulus Matrilysin homolog 0.0039 0.0175 0.0272
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0163 0.1043 0.1055
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0023
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0674 0.2354
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Brugia malayi 6-phosphofructokinase 0.011 0.0674 0.1023
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.1427 0.3488
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0085 0.0195
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0109 0.0282
Loa Loa (eye worm) hypothetical protein 0.0244 0.1615 0.1635
Toxoplasma gondii hypothetical protein 0.0014 0.0001 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.011 0.0109
Onchocerca volvulus 0.0407 0.2758 0.4316
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0032 0.0031
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0132 0.034
Onchocerca volvulus 0.0244 0.1615 0.2526
Brugia malayi Matrixin family protein 0.0018 0.0024 0.0035
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.0674 0.2192
Entamoeba histolytica aminopeptidase, putative 0.0081 0.0466 0.1594
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0407 0.2758 0.2793
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0132 0.0366
Schistosoma mansoni lamin 0.0027 0.0089 0.0089
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0244 0.1615 0.5405
Loa Loa (eye worm) TK/ROR protein kinase 0.0052 0.0266 0.0268
Loa Loa (eye worm) hypothetical protein 0.0041 0.0189 0.019
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0085 0.0182
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0014 0.0001 0.0001
Loa Loa (eye worm) aspartyl aminopeptidase 0.0081 0.0466 0.0472
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0032
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0032
Entamoeba histolytica hypothetical protein 0.0043 0.0205 0.0634
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0032
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0132 0.01
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0244 0.1615 0.1634
Trypanosoma cruzi pyroglutamyl-peptidase I, putative 0.0436 0.296 0.9998
Toxoplasma gondii aminopeptidase n, putative 0.1438 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.005 0.0074
Toxoplasma gondii thioredoxin reductase 0.0095 0.0569 0.0569
Loa Loa (eye worm) glutathione reductase 0.0095 0.0569 0.0576
Brugia malayi hypothetical protein 0.0407 0.2758 0.4193
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.1427 0.3488
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0085 0.0085
Echinococcus granulosus bloom syndrome protein 0.0021 0.005 0.0048
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0002 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0132 0.034
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0407 0.2758 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.1615 0.1635
Brugia malayi Uncoordinated protein 44 0.0015 0.0002 0.0001
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0132 0.034
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0087 0.051 0.1631
Toxoplasma gondii microneme protein MIC17B 0.0014 0.0001 0.0001
Trypanosoma brucei trypanothione reductase 0.0095 0.0569 0.1834
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.1427 0.3488
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0132 0.0132
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0081 0.0466 0.1484
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.005 0.0065
Mycobacterium tuberculosis Probable reductase 0.0217 0.1427 0.3488

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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