Detailed information for compound 1253936

Basic information

Technical information
  • TDR Targets ID: 1253936
  • Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[ (2,4-dimethoxyphenyl)amino]-2-oxoethyl]triazo le-4-carboxamide
  • MW: 454.436 | Formula: C21H22N6O6
  • H donors: 3 H acceptors: 4 LogP: 1.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)NC(=O)Cn1nnc(c1N)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C21H22N6O6/c1-30-13-4-5-14(16(8-13)31-2)24-18(28)10-27-20(22)19(25-26-27)21(29)23-9-12-3-6-15-17(7-12)33-11-32-15/h3-8H,9-11,22H2,1-2H3,(H,23,29)(H,24,28)
  • InChiKey: DICVPQIQLUJRQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxo-ethyl]triazole-4-carboxamide
  • 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl]-4-triazolecarboxamide
  • 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[(2,4-dimethoxyphenyl)amino]-2-keto-ethyl]triazole-4-carboxamide
  • 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxo-ethyl]-1,2,3-triazole-4-carboxamide
  • ChemDiv2_006468
  • IDI1_005183

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0088 0.0907 0.1075
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0075 0.0092
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.0823 0.1029
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0104 0.1088 0.1898
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0534 0.0628
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.1107 0.1824
Brugia malayi glutathione reductase 0.0042 0.0383 0.0654
Mycobacterium ulcerans beta-lactamase 0.0081 0.0823 1
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0823 0.3144
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0032 0.0025
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0823 0.3207
Trichomonas vaginalis ferritin, putative 0.0038 0.0338 0.4107
Entamoeba histolytica hypothetical protein 0.0077 0.0779 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0204 0.2483
Mycobacterium tuberculosis Conserved protein 0.0081 0.0823 0.1322
Toxoplasma gondii ABC1 family protein 0.0081 0.0823 1
Toxoplasma gondii exonuclease III APE 0.002 0.014 0.1137
Onchocerca volvulus 0.0061 0.0596 0.3745
Echinococcus granulosus intermediate filament protein 0.0061 0.0596 0.0703
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0013 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0823 0.0975
Echinococcus multilocularis snurportin 1 0.0708 0.7887 0.7886
Echinococcus multilocularis transportin 1 0.0013 0.0053 0.0044
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0383 0.1295
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0075 0.0092
Echinococcus granulosus translational activator gcn1 0.0013 0.0053 0.0053
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.0517 0.6287
Echinococcus granulosus importin subunit beta 1 0.0066 0.0659 0.0778
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0049 0.0461 0.6744
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.014 0.0116
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0038 0.0338 1
Brugia malayi Muscleblind-like protein 0.0165 0.177 0.3101
Mycobacterium tuberculosis Probable dehydrogenase 0.0096 0.0987 0.1612
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0088 0.0907 0.0899
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0038 0.0338 0.0465
Loa Loa (eye worm) hypothetical protein 0.0029 0.0242 0.0291
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.014 0.0158
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.014 0.1693
Brugia malayi hypothetical protein 0.0512 0.5679 1
Echinococcus multilocularis muscleblind protein 0.0165 0.177 0.1763
Mycobacterium ulcerans hypothetical protein 0.0081 0.0823 1
Loa Loa (eye worm) RNA binding protein 0.0291 0.3183 0.4026
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.0823 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0075 0.0365
Loa Loa (eye worm) hypothetical protein 0.0512 0.5679 0.7196
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0383 0.047
Brugia malayi hypothetical protein 0.0077 0.0779 0.1353
Echinococcus granulosus GPCR family 2 0.0088 0.0907 0.1075
Echinococcus granulosus smad 0.0009 0.0013 0.0005
Leishmania major hypothetical protein, conserved 0.0226 0.2454 1
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0075 0.091
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0075 0.091
Schistosoma mansoni tar DNA-binding protein 0.0291 0.3183 0.3799
Treponema pallidum bacterioferrin (TpF1) 0.0038 0.0338 1
Echinococcus granulosus lamin 0.0061 0.0596 0.0703
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0204 0.173
Schistosoma mansoni ap endonuclease 0.002 0.014 0.0158
Mycobacterium ulcerans bacterioferritin BfrB 0.0038 0.0338 0.3517
Schistosoma mansoni smad 0.0009 0.0013 0.0005
Loa Loa (eye worm) kap beta 3 protein 0.0013 0.0053 0.0051
Leishmania major trypanothione reductase 0.0042 0.0383 0.1375
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0049 0.0461 0.5306
Plasmodium vivax glutathione reductase, putative 0.0042 0.0383 0.4288
Plasmodium falciparum importin beta, putative 0.0066 0.0659 1
Echinococcus granulosus muscleblind protein 0.0165 0.177 0.2108
Mycobacterium tuberculosis Probable reductase 0.0096 0.0987 0.1612
Schistosoma mansoni tar DNA-binding protein 0.0291 0.3183 0.3799
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0302 0.0367
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0088 0.0907 0.1075
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0075 0.0079
Schistosoma mansoni hypothetical protein 0.0751 0.8365 1
Schistosoma mansoni apoferritin-2 0.0038 0.0338 0.0394
Onchocerca volvulus 0.0104 0.1088 1
Toxoplasma gondii thioredoxin reductase 0.0042 0.0383 0.4288
Onchocerca volvulus 0.0081 0.0823 0.6627
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.0823 0.1322
Loa Loa (eye worm) hypothetical protein 0.0165 0.177 0.2231
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0038 0.0338 0.0465
Mycobacterium tuberculosis Conserved protein 0.0081 0.0823 0.1322
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0013 0.0005
Loa Loa (eye worm) importin-beta domain-containing protein 0.0013 0.0053 0.0051
Mycobacterium leprae conserved hypothetical protein 0.0081 0.0823 0.6304
Trypanosoma cruzi hypothetical protein, conserved 0.0226 0.2454 1
Echinococcus multilocularis expressed protein 0.0038 0.0338 0.033
Echinococcus multilocularis lamin 0.0061 0.0596 0.0588
Leishmania major importin beta-1 subunit, putative 0.0054 0.0517 0.1935
Trypanosoma brucei hypothetical protein, conserved 0.0226 0.2454 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0038 0.0338 0.3517
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0032 0.0033
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.014 0.1205
Echinococcus multilocularis importin 5 0.0013 0.0053 0.0044
Schistosoma mansoni ferritin light chain 0.0038 0.0338 0.0394
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0031 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0823 0.3144
Plasmodium vivax importin-beta 2, putative 0.0066 0.0659 0.7867
Schistosoma mansoni ran 0.0049 0.0461 0.0542
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0779 0.0922
Entamoeba histolytica hypothetical protein 0.0077 0.0779 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0033 0.0278 0.0337
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0096 0.0987 0.844
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0389 0.0381
Echinococcus granulosus importin 5 0.0013 0.0053 0.0053
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0088 0.0907 0.0899
Loa Loa (eye worm) beta-lactamase 0.0081 0.0823 0.1029
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0075 0.0365
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0823 1
Schistosoma mansoni cpg binding protein 0.0037 0.0324 0.0378
Echinococcus multilocularis smad 0.0009 0.0013 0.0004
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0075 0.0079
Schistosoma mansoni hypothetical protein 0.0191 0.2062 0.2457
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5474 0.654
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.014 0.0275
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0534 0.0525
Schistosoma mansoni ap endonuclease 0.002 0.014 0.0158
Onchocerca volvulus 0.0081 0.0823 0.6627
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.1107 0.1824
Echinococcus multilocularis GPCR, family 2 0.0088 0.0907 0.0899
Onchocerca volvulus 0.0061 0.0596 0.3745
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0242 0.0234
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0075 0.0287
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0383 0.0544
Echinococcus multilocularis tar DNA binding protein 0.0291 0.3183 0.3177
Schistosoma mansoni hypothetical protein 0.0708 0.7887 0.9429
Loa Loa (eye worm) hypothetical protein 0.0191 0.2062 0.2602
Brugia malayi intermediate filament protein 0.0061 0.0596 0.103
Trichomonas vaginalis ran, putative 0.0049 0.0461 0.5607
Echinococcus multilocularis survival motor neuron protein 1 0.0512 0.5679 0.5676
Schistosoma mansoni apoferritin-2 0.0038 0.0338 0.0394
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0075 0.0066
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.014 0.0875
Schistosoma mansoni hypothetical protein 0.0104 0.1088 0.1292
Loa Loa (eye worm) hypothetical protein 0.0066 0.0659 0.082
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.0823 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0204 0.173
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.014 0.0365
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.014 0.2487
Loa Loa (eye worm) hypothetical protein 0.006 0.0584 0.0725
Leishmania major GTP-binding protein, putative 0.0049 0.0461 0.1702
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0049 0.0461 0.1702
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0279 0.3057 0.5373
Schistosoma mansoni tar DNA-binding protein 0.0291 0.3183 0.3799
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0049 0.0461 0.0792
Schistosoma mansoni cpg binding protein 0.0037 0.0324 0.0378
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.0823 0.1322
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0013 0.0005
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0075 0.0287
Echinococcus multilocularis importin subunit beta 1 0.0066 0.0659 0.0651
Schistosoma mansoni ferritin 0.0038 0.0338 0.0394
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.1107 1
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0204 0.0631
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0204 0.0229
Brugia malayi latrophilin 2 splice variant baaae 0.0191 0.2062 0.3616
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0659 0.2523
Brugia malayi follicle stimulating hormone receptor 0.0256 0.2799 0.4916
Schistosoma mansoni ferritin light chain 0.0038 0.0338 0.0394
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0075 0.0287
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0823 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0013 0.0004
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Leishmania major hypothetical protein, conserved 0.0081 0.0823 0.3207
Echinococcus granulosus lamin dm0 0.0061 0.0596 0.0703
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0049 0.0461 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0204 0.173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0534 0.0628
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0088 0.0907 0.1075
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0651 0.7773
Mycobacterium tuberculosis Conserved protein 0.0026 0.0204 0.0229
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.014 0.1137
Loa Loa (eye worm) hypothetical protein 0.0061 0.0596 0.0741
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0534 0.0525
Echinococcus multilocularis Smad4 0.0009 0.0013 0.0004
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0096 0.0987 0.1612
Brugia malayi beta-lactamase family protein 0.0081 0.0823 0.143
Loa Loa (eye worm) hypothetical protein 0.0279 0.3057 0.3866
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0005
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1397 0.1758
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0032 0.0028
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0015 0.0075 0.0092
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0204 0.173
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0204 0.0234
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.0823 0.0975
Brugia malayi RNA, U transporter 1 0.0189 0.2036 0.3571
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0096 0.0987 0.1612
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0823 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.014 0.0275
Echinococcus multilocularis cpg binding protein 0.0037 0.0324 0.0316
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0823 1
Trichomonas vaginalis hypothetical protein 0.0013 0.0053 0.0642
Schistosoma mansoni ferritin 0.0038 0.0338 0.0394
Echinococcus granulosus geminin 0.0751 0.8365 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0005
Loa Loa (eye worm) hypothetical protein 0.0028 0.0229 0.0275
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0823 1
Echinococcus multilocularis musashi 0.0061 0.0596 0.0588
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0389 0.0456
Schistosoma mansoni survival motor neuron protein 0.0104 0.1088 0.1292
Brugia malayi Latrophilin receptor protein 2 0.0088 0.0907 0.1578
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0517 0.5734 1
Entamoeba histolytica Ran family GTPase 0.0049 0.0461 0.5625
Echinococcus multilocularis lamin dm0 0.0061 0.0596 0.0588
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.014 0.0162
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0291 0.3183 0.4026
Echinococcus granulosus expressed protein 0.0038 0.0338 0.0394
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1397 0.1758
Plasmodium falciparum thioredoxin reductase 0.0042 0.0383 0.5451
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0204 0.173
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.0823 0.1322
Echinococcus multilocularis muscleblind protein 1 0.0165 0.177 0.1763
Schistosoma mansoni cpg binding protein 0.0035 0.0302 0.0351
Brugia malayi Importin beta-1 subunit 0.0066 0.0659 0.114
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0779 0.0771
Trypanosoma cruzi importin beta-1 subunit, putative 0.0054 0.0517 0.186
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Schistosoma mansoni hypothetical protein 0.0494 0.5474 0.654
Brugia malayi Intermediate filament tail domain containing protein 0.0061 0.0596 0.103
Trypanosoma brucei trypanothione reductase 0.0042 0.0383 0.1375
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Trichomonas vaginalis ap endonuclease, putative 0.002 0.014 0.1706
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.1107 0.1824
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.014 0.2487
Brugia malayi TAR-binding protein 0.0291 0.3183 0.5595
Echinococcus granulosus snurportin 1 0.0708 0.7887 0.9429
Brugia malayi Thioredoxin reductase 0.0042 0.0383 0.0654
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0013 0.0004
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0061 0.0596 0.0741
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0075 0.0092
Loa Loa (eye worm) hypothetical protein 0.0165 0.177 0.2231
Schistosoma mansoni importin beta-1 0.0066 0.0659 0.0778
Schistosoma mansoni hypothetical protein 0.0077 0.0779 0.0922
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0015 0.0075 0.0092
Schistosoma mansoni importin-beta 2 0.0013 0.0053 0.0053
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.0823 0.1322
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0049 0.0461 0.5306
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0075 0.0287
Loa Loa (eye worm) hypothetical protein 0.0028 0.0229 0.0275
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.074 0.0875
Echinococcus granulosus Smad4 0.0009 0.0013 0.0005
Brugia malayi cytoplasmic intermediate filament protein 0.0033 0.0278 0.0469
Mycobacterium tuberculosis Conserved protein 0.0081 0.0823 0.1322
Schistosoma mansoni hypothetical protein 0.0751 0.8365 1
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0383 0.4288
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0204 0.0544
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0032 0.0024
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0242 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0291 0.3183 0.3799
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0779 0.0922
Brugia malayi Calcitonin receptor-like protein seb-1 0.0279 0.3057 0.5373
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.0823 0.0815
Brugia malayi beta-lactamase family protein 0.0081 0.0823 0.143
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0461 0.1625
Loa Loa (eye worm) TAR-binding protein 0.0291 0.3183 0.4026
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0075 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.0302 0.0511
Plasmodium falciparum glutathione reductase 0.0042 0.0383 0.5451
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0015 0.0075 0.0092
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0204 0.0196
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.0823 0.1322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0534 0.0628
Plasmodium falciparum glutathione reductase 0.0015 0.0075 0.0365
Entamoeba histolytica hypothetical protein 0.0077 0.0779 1
Schistosoma mansoni hypothetical protein 0.0088 0.0907 0.1075
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0075 0.011
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0096 0.0987 0.1612
Schistosoma mansoni ferritin 0.0038 0.0338 0.0394
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.014 0.1445
Echinococcus granulosus transportin 1 0.0013 0.0053 0.0053
Echinococcus granulosus tar DNA binding protein 0.0291 0.3183 0.3799
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0204 0.0544
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0049 0.0461 0.0453
Trichomonas vaginalis importin beta-1, putative 0.0054 0.0517 0.6287
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.0823 0.1322
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.2799 0.3538
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0534 0.0661
Schistosoma mansoni ran 0.0049 0.0461 0.0542
Entamoeba histolytica hypothetical protein 0.0054 0.0517 0.6395
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.0517 0.6287
Loa Loa (eye worm) intermediate filament protein 0.0061 0.0596 0.0741
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0075 0.0092
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0823 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0005
Entamoeba histolytica hypothetical protein 0.0077 0.0779 1
Echinococcus multilocularis geminin 0.0751 0.8365 0.8363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0534 0.0628
Loa Loa (eye worm) hypothetical protein 0.0088 0.0907 0.1135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0534 0.0919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0534 0.0628
Brugia malayi beta-lactamase 0.0081 0.0823 0.143
Schistosoma mansoni ferritin 0.0038 0.0338 0.0394
Echinococcus granulosus cpg binding protein 0.0037 0.0324 0.0378
Trypanosoma cruzi hypothetical protein, conserved 0.0226 0.2454 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.0823 0.143
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0279 0.3057 0.3866
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.014 0.0365
Schistosoma mansoni Smad4 0.0009 0.0013 0.0005
Loa Loa (eye worm) latrophilin receptor protein 2 0.0088 0.0907 0.1135
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0096 0.0987 0.1612
Schistosoma mansoni hypothetical protein 0.0088 0.0907 0.1075
Trichomonas vaginalis ap endonuclease, putative 0.002 0.014 0.1706
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1029
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.014 0.0132
Onchocerca volvulus 0.0081 0.0823 0.6627
Mycobacterium leprae Probable lipase LipE 0.0081 0.0823 0.6304
Mycobacterium ulcerans lipase LipD 0.0081 0.0823 1
Schistosoma mansoni tar DNA-binding protein 0.0291 0.3183 0.3799
Plasmodium falciparum thioredoxin reductase 0.0015 0.0075 0.0365
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0032 0.0033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0823 0.0975
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.0823 0.1322
Trichomonas vaginalis esterase, putative 0.0081 0.0823 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0015 0.0075 0.0092
Schistosoma mansoni lamin 0.0061 0.0596 0.0703
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0659 0.2523
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.014 0.0225
Brugia malayi RNA recognition motif domain containing protein 0.0291 0.3183 0.5595
Echinococcus granulosus ferritin 0.0038 0.0338 0.0394
Schistosoma mansoni lamin 0.0061 0.0596 0.0703
Brugia malayi RNA binding protein 0.0291 0.3183 0.5595
Echinococcus granulosus survival motor neuron protein 1 0.0512 0.5679 0.6786
Schistosoma mansoni intermediate filament proteins 0.0061 0.0596 0.0703
Schistosoma mansoni hypothetical protein 0.0088 0.0907 0.1075
Echinococcus granulosus GTP binding nuclear protein Ran 0.0049 0.0461 0.0542
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0049 0.0461 0.057
Echinococcus multilocularis translational activator gcn1 0.0013 0.0053 0.0044
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5474 0.547
Brugia malayi kap beta 3 protein 0.0013 0.0053 0.0071
Brugia malayi MH2 domain containing protein 0.0132 0.1397 0.2443
Loa Loa (eye worm) glutathione reductase 0.0042 0.0383 0.047
Echinococcus multilocularis ferritin 0.0038 0.0338 0.033
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0708 0.7887 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0088 0.0907 0.1578
Toxoplasma gondii HEAT repeat-containing protein 0.0066 0.0659 0.7867
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0461 0.1625

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 3.2643 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 100 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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