Detailed information for compound 1304660

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.579 | Formula: C19H27N5O3S2
  • H donors: 1 H acceptors: 5 LogP: 2.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1nnc(s1)NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C
  • InChi: 1S/C19H27N5O3S2/c1-13(2)11-17-21-22-19(28-17)20-18(25)15-12-14(29(26,27)23(3)4)7-8-16(15)24-9-5-6-10-24/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,22,25)
  • InChiKey: XXTZJTGKLOWLLT-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
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.061 0.0914
Onchocerca volvulus 0.0031 0.0614 0.0111
Schistosoma mansoni pyruvate kinase 0.0037 0.0825 0.0795
Loa Loa (eye worm) hypothetical protein 0.0051 0.134 0.1684
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.1155 0.176
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0253 0.051
Entamoeba histolytica hypothetical protein 0.0026 0.0419 0.2119
Brugia malayi mbt repeat family protein 0.0046 0.1155 0.1416
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.2851 0.4391
Trypanosoma cruzi trypanothione reductase, putative 0.009 0.2765 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.0825 0.1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.061 0.2181
Echinococcus multilocularis GPCR, family 2 0.0015 0.0033 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1938 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0253 0.1341
Onchocerca volvulus 0.0034 0.0705 0.0217
Brugia malayi CXXC zinc finger family protein 0.0029 0.0519 0.0613
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0825 0.0356
Schistosoma mansoni lamin 0.0031 0.0614 0.0583
Mycobacterium ulcerans pyruvate kinase 0.0037 0.0825 0.3394
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.1389 0.2122
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0705 0.1062
Onchocerca volvulus 0.003 0.0557 0.0045
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0486 0.0721
Brugia malayi Thioredoxin reductase 0.009 0.2765 0.3447
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0253 0.036
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0082 0.0062
Brugia malayi jmjC domain containing protein 0.0106 0.3353 0.4189
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1038 0.3474
Brugia malayi Pre-SET motif family protein 0.0232 0.7958 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0614 0.0771
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0253 0.0884
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1253 0.154
Brugia malayi PHD-finger family protein 0.0031 0.0586 0.0699
Loa Loa (eye worm) TK/ROR protein kinase 0.003 0.0557 0.07
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1155 0.1126
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1938 0.1912
Leishmania major trypanothione reductase 0.009 0.2765 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.1389 0.2122
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0582 0.2079
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0654 0.0822
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0228 0.7827 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.143 0.2186
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1938 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0593 0.0745
Toxoplasma gondii pyruvate kinase PyK1 0.0037 0.0825 0.2541
Loa Loa (eye worm) hypothetical protein 0.0052 0.1389 0.1745
Echinococcus granulosus intermediate filament protein 0.0031 0.0614 0.092
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0253 0.036
Trypanosoma brucei trypanothione reductase 0.009 0.2765 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.1045 0.1313
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0253 0.0221
Loa Loa (eye worm) hypothetical protein 0.003 0.0582 0.0732
Plasmodium falciparum glutathione reductase 0.0031 0.061 0.1715
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Brugia malayi Bromodomain containing protein 0.0089 0.2715 0.3384
Echinococcus granulosus pyruvate kinase 0.0019 0.0165 0.0223
Echinococcus multilocularis pyruvate kinase 0.0019 0.0165 0.0223
Brugia malayi hypothetical protein 0.003 0.0582 0.0693
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.6116 0.9458
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Giardia lamblia Pyruvate kinase 0.0037 0.0825 1
Brugia malayi Kringle domain containing protein 0.003 0.0557 0.0662
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.1155 0.1126
Echinococcus granulosus peregrin 0.0035 0.0755 0.1138
Trichomonas vaginalis glutathione reductase, putative 0.0031 0.061 0.0403
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0205 0.6988 0.8892
Loa Loa (eye worm) hypothetical protein 0.0033 0.0688 0.0865
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.1155 0.176
Trypanosoma brucei pyruvate kinase 1 0.0037 0.0825 0.2961
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0033 0.0018
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0825 0.0356
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0033 0.0018
Echinococcus multilocularis pyruvate kinase 0.0037 0.0825 0.1248
Plasmodium falciparum glutathione reductase 0.009 0.2765 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0486 0.0455
Plasmodium falciparum pyruvate kinase 0.0037 0.0825 0.2541
Leishmania major DNA polymerase eta, putative 0.0021 0.0253 0.051
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.061 0.1715
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0228 0.7827 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.6466 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0582 0.1607
Schistosoma mansoni bromodomain containing protein 0.0075 0.2217 0.2191
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0191 0.6466 0.8117
Echinococcus granulosus dna polymerase kappa 0.0021 0.0253 0.036
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.061 0.186
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.061 0.186
Echinococcus granulosus lamin 0.0031 0.0614 0.092
Schistosoma mansoni hypothetical protein 0.028 0.9724 0.9723
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.1038 0.4655
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0253 0.0884
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.061 0.1715
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0033 0.0018
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.0825 0.1
Echinococcus granulosus lamin dm0 0.0031 0.0614 0.092
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0419 0.098
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0654 0.0982
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Brugia malayi Bromodomain containing protein 0.0044 0.1095 0.1341
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0419 0.098
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0904 0.137
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0253 0.0318
Echinococcus multilocularis pyruvate kinase 0.0029 0.0539 0.0804
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.061 0.1715
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.061 0.2181
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0414 0.0521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0191 0.6466 0.8124
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0654 0.1883
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1038 0.0884
Schistosoma mansoni inositol monophosphatase 0.0043 0.1038 0.1008
Loa Loa (eye worm) hypothetical protein 0.0092 0.2851 0.3582
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0995 0.1511
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0033 0.0018
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1938 0.1912
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0419 0.1138
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.143 0.2186
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0873 0.0613
Echinococcus multilocularis zinc finger protein 0.0024 0.036 0.0526
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0705 0.208
Loa Loa (eye worm) inositol-1 0.0043 0.1038 0.1304
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Plasmodium vivax SET domain protein, putative 0.0034 0.0705 0.208
Onchocerca volvulus 0.0092 0.2851 0.2708
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.1038 0.1577
Schistosoma mansoni cpg binding protein 0.0033 0.066 0.0629
Loa Loa (eye worm) hypothetical protein 0.003 0.0557 0.07
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.6116 0.9458
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0638 0.0957
Echinococcus multilocularis dna polymerase eta 0.0021 0.0253 0.036
Schistosoma mansoni hypothetical protein 0.003 0.0557 0.0526
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.061 0.0472
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0705 0.0675
Loa Loa (eye worm) hypothetical protein 0.0015 0.0033 0.0041
Echinococcus multilocularis cpg binding protein 0.0033 0.066 0.0991
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.1917 0.2409
Onchocerca volvulus 0.0264 0.9128 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0705 0.0849
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0995 0.1511
Trypanosoma brucei unspecified product 0.0021 0.0253 0.0884
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.1155 0.0739
Echinococcus granulosus cpg binding protein 0.0033 0.066 0.0991
Leishmania major pyruvate kinase 0.0037 0.0825 0.2672
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0419 0.0986
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0688 0.0827
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0654 0.0982
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.3353 0.517
Echinococcus granulosus zinc finger protein 0.0024 0.036 0.0526
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0253 0.0884
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1045 0.1015
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1038 0.3732
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0582 0.1607
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.1038 1
Loa Loa (eye worm) MBCTL1 0.0052 0.1389 0.1745
Plasmodium vivax cysteine repeat modular protein 1, putative 0.003 0.0557 0.151
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.1389 0.136
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1938 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0253 0.051
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.1389 0.1711
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Toxoplasma gondii kringle domain-containing protein 0.003 0.0557 0.151
Brugia malayi Inositol-1 0.0043 0.1038 0.1268
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.2851 0.2827
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.2851 0.3555
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.061 0.0579
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0614 0.0733
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.1038 0.0884
Leishmania major hypothetical protein, conserved 0.003 0.0582 0.1754
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0825 0.0356
Plasmodium vivax pyruvate kinase, putative 0.0037 0.0825 0.2541
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0486 0.0721
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.1038 0.1577
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.1155 0.1451
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1155 0.1126
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0825 0.1037
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0654 0.0623
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.061 0.186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.143 0.1402
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0228 0.7827 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.061 0.6748
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.009 0.2765 0.3316
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0205 0.6988 0.8892
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0253 0.0278
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Loa Loa (eye worm) hypothetical protein 0.0032 0.0654 0.0822
Plasmodium falciparum phd finger protein, putative 0.0032 0.0654 0.1883
Loa Loa (eye worm) hypothetical protein 0.0054 0.143 0.1797
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0825 0.1037
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0205 0.6988 0.8867
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.3353 0.517
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.6466 1
Chlamydia trachomatis pyruvate kinase 0.0037 0.0825 1
Brugia malayi intermediate filament protein 0.0031 0.0614 0.0733
Schistosoma mansoni jumonji domain containing protein 0.0084 0.2554 0.253
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0705 0.0675
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.2065 0.3171
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1038 0.3474
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.1389 0.2122
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0419 0.0986
Leishmania major hypothetical protein, conserved 0.003 0.0557 0.1659
Echinococcus multilocularis pyruvate kinase 0.0019 0.0165 0.0223
Loa Loa (eye worm) hypothetical protein 0.0049 0.1253 0.1575
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.1038 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.061 0.212
Leishmania major pyruvate kinase 0.0037 0.0825 0.2672
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.1155 0.176
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.061 0.1715
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0253 0.051
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.1038 0.3358
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.1155 0.176
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.061 0.4707
Schistosoma mansoni cpg binding protein 0.0029 0.0519 0.0488
Brugia malayi PHD-finger family protein 0.0032 0.0654 0.0784
Schistosoma mansoni pyruvate kinase 0.0037 0.0825 0.0795
Schistosoma mansoni hypothetical protein 0.0033 0.0688 0.0658
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0253 0.0884
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0419 0.098
Trichomonas vaginalis mercuric reductase, putative 0.0031 0.061 0.0403
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0253 0.0278
Loa Loa (eye worm) hypothetical protein 0.0021 0.0253 0.0318
Mycobacterium tuberculosis Probable oxidoreductase 0.0228 0.7827 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1155 0.1451
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0253 0.051
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0825 0.0645
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0825 0.1037
Plasmodium falciparum thioredoxin reductase 0.009 0.2765 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0205 0.6988 0.8892
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0582 0.1607
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0582 0.1754
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.061 0.186
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.061 0.212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.143 0.1402
Onchocerca volvulus 0.0046 0.1155 0.0739
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0082 0.0103
Schistosoma mansoni zinc finger protein 0.0018 0.0118 0.0086
Plasmodium vivax glutathione reductase, putative 0.009 0.2765 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.1938 0.2975
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.0414 0.2057
Schistosoma mansoni hypothetical protein 0.0024 0.0345 0.0313
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.2783 0.4286
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0253 0.051
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1604 0.5536
Echinococcus granulosus pyruvate kinase 0.0037 0.0825 0.1248
Mycobacterium tuberculosis Probable reductase 0.0205 0.6988 0.8892
Schistosoma mansoni intermediate filament proteins 0.0031 0.0614 0.0583
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0419 0.1488
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1045 0.1015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.6466 0.6454
Echinococcus granulosus jumonji domain containing protein 0.0045 0.1119 0.1703
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0307 0.0346
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0253 0.051
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.061 0.212
Echinococcus granulosus tissue type plasminogen activator 0.003 0.0557 0.0832
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0582 0.1607
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.0825 0.0755
Echinococcus multilocularis lamin 0.0031 0.0614 0.092
Brugia malayi hypothetical protein 0.002 0.0187 0.0195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.6466 0.6454
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0253 0.036
Schistosoma mansoni zinc finger protein 0.0024 0.036 0.0328
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.1389 0.2122
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0193 0.0266
Echinococcus multilocularis lamin dm0 0.0031 0.0614 0.092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.6466 0.6454
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0033 0.0041
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.1938 0.6822
Plasmodium vivax thioredoxin reductase, putative 0.009 0.2765 1
Treponema pallidum NADH oxidase 0.0031 0.061 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0037 0.0825 0.0548
Giardia lamblia PHD finger protein 15 0.0032 0.0654 0.7411
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.061 0.0914
Loa Loa (eye worm) hypothetical protein 0.0047 0.1199 0.1507
Trichomonas vaginalis set domain proteins, putative 0.0264 0.9128 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.061 0.1715
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.1938 0.2975
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0026
Echinococcus granulosus GPCR family 2 0.0015 0.0033 0.0018
Trypanosoma brucei ISWI complex protein 0.0018 0.0118 0.0394
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0193 0.016
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.061 0.309
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.2783 0.4286
Brugia malayi jmjC domain containing protein 0.0043 0.1045 0.1277
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0307 0.0346
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0219 0.0275
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.1045 0.1588
Echinococcus multilocularis musashi 0.0031 0.0614 0.092
Toxoplasma gondii thioredoxin reductase 0.009 0.2765 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.1038 0.1008
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Plasmodium falciparum cysteine repeat modular protein 1 0.003 0.0557 0.151
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.061 0.0729
Schistosoma mansoni cpg binding protein 0.0033 0.066 0.0629
Loa Loa (eye worm) glutathione reductase 0.009 0.2765 0.3474
Trypanosoma brucei pyruvate kinase 1, putative 0.0037 0.0825 0.2961
Plasmodium falciparum thioredoxin reductase 0.0031 0.061 0.1715
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.1938 0.2225
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0873 0.0819
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0614 0.0771
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0825 0.2672
Onchocerca volvulus Alhambra homolog 0.0032 0.0654 0.0157
Echinococcus granulosus pyruvate kinase 0.0037 0.0825 0.1248
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1038 0.0884
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0253 0.0221
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.061 0.2181
Schistosoma mansoni pyruvate kinase 0.0019 0.0165 0.0132
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0419 0.098
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0161 0.0129
Echinococcus granulosus dna polymerase eta 0.0021 0.0253 0.036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.061 0.309
Brugia malayi mbt repeat family protein 0.0046 0.1155 0.1416
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0419 0.0219
Schistosoma mansoni DNA polymerase eta 0.0021 0.0253 0.0221
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1253 0.154
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Loa Loa (eye worm) hypothetical protein 0.0056 0.1501 0.1887
Loa Loa (eye worm) hypothetical protein 0.0026 0.0414 0.0521
Loa Loa (eye worm) hypothetical protein 0.0031 0.0614 0.0771
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0825 0.0645
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1741 0.1714
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.2065 0.3171
Schistosoma mansoni hypothetical protein 0.0018 0.0118 0.0086
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.1119 0.1703
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0519 0.0652
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0557 0.1659
Brugia malayi Bromodomain containing protein 0.0035 0.0755 0.0911
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0205 0.6988 0.8892
Brugia malayi glutathione reductase 0.009 0.2765 0.3447
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1038 0.3474
Echinococcus multilocularis pyruvate kinase 0.0037 0.0825 0.1248
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.1938 0.6878
Brugia malayi Protein kinase domain containing protein 0.003 0.0557 0.0662
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0193 0.016
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0345 0.0433
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.061 0.1715
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0205 0.6988 0.8892
Loa Loa (eye worm) thioredoxin reductase 0.009 0.2765 0.3474
Loa Loa (eye worm) hypothetical protein 0.0037 0.0825 0.1037
Onchocerca volvulus 0.0031 0.0614 0.0111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.7958 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.6466 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.061 0.186
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.2851 0.4391
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0654 0.1883
Echinococcus granulosus pyruvate kinase 0.0019 0.0165 0.0223
Schistosoma mansoni hypothetical protein 0.0032 0.0654 0.0623
Echinococcus multilocularis peregrin 0.0035 0.0755 0.1138
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0582 0.1754
Echinococcus multilocularis tissue type plasminogen activator 0.003 0.0557 0.0832
Schistosoma mansoni lamin 0.0031 0.0614 0.0583
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0253 0.0884
Echinococcus multilocularis pyruvate kinase 0.0019 0.0165 0.0223
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1253 0.1575
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Loa Loa (eye worm) hypothetical protein 0.0082 0.2473 0.3108
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.061 0.186
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0193 0.0266
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0825 0.2672
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0302 0.034
Leishmania major DNA polymerase kappa, putative 0.0021 0.0253 0.051
Loa Loa (eye worm) hypothetical protein 0.0045 0.1098 0.138
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.061 0.2181
Echinococcus granulosus pyruvate kinase 0.0019 0.0165 0.0223
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0654 0.1883
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.6466 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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