Detailed information for compound 1879832

Basic information

Technical information
  • TDR Targets ID: 1879832
  • Name: N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4 -nitroaniline
  • MW: 299.281 | Formula: C15H13N3O4
  • H donors: 1 H acceptors: 2 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c1ccc2c(c1)OCO2
  • InChi: 1S/C15H13N3O4/c1-10(11-2-7-14-15(8-11)22-9-21-14)16-17-12-3-5-13(6-4-12)18(19)20/h2-8,17H,9H2,1H3/b16-10+
  • InChiKey: KGGHGSVSHTYJMV-MHWRWJLKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-nitro-aniline
  • [1-(1,3-benzodioxol-5-yl)ethylideneamino]-(4-nitrophenyl)amine
  • SMR000353270
  • T0508-6353
  • MLS001011258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens toll-like receptor 9 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Pseudomonas aeruginosa Beta Lactamase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans class a beta-lactamase, BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Class a beta-lactamase BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0231 0.0231
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.2127 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0154 0.0154
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0231 0.0222
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Echinococcus granulosus importin subunit beta 1 0.0035 0.0124 0.0124
Chlamydia trachomatis transcriptional repressor NrdR 0.0285 0.1304 0.1011
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.008 0.008
Schistosoma mansoni cpg binding protein 0.0037 0.0132 0.0132
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.1842 0.8655 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0132 0.0132
Echinococcus multilocularis snurportin 1 0.0372 0.1714 0.1714
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0269 0.0269
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0078 0.0326 0.0326
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0124 0.0044
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.001 0.001
Schistosoma mansoni ran 0.0026 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0205 0.0925 0.0925
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.001 0.001
Plasmodium vivax importin-beta 2, putative 0.0035 0.0124 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0244 0.0234
Schistosoma mansoni hypothetical protein 0.0372 0.1714 0.1714
Brugia malayi ribonucleotide reductase 2 0.0078 0.0326 0.0317
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0231 0.0231
Entamoeba histolytica hypothetical protein 0.0028 0.0093 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0019 0.0049 0.0049
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.2127 1 1
Onchocerca volvulus 0.0035 0.0123 0.4934
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.1842 0.8655 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.008 0.5
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.016 0.0716 0.0472
Schistosoma mansoni cpg binding protein 0.0037 0.0132 0.0132
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0231 0.0231
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0124 0.0044
Echinococcus multilocularis GPCR, family 2 0.0019 0.0049 0.0049
Schistosoma mansoni cpg binding protein 0.0035 0.0123 0.0123
Mycobacterium ulcerans transcriptional regulator NrdR 0.0285 0.1304 0.1424
Loa Loa (eye worm) hypothetical protein 0.0058 0.0231 0.0222
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Loa Loa (eye worm) hypothetical protein 0.0066 0.0269 0.0259
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0078 0.0326 0.0004
Brugia malayi CXXC zinc finger family protein 0.0035 0.0123 0.0114
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.2127 1 1
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.1842 0.8655 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0124 0.0044
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0078 0.0326 0.0248
Loa Loa (eye worm) hypothetical protein 0.0041 0.0154 0.0144
Brugia malayi mbt repeat family protein 0.0058 0.0231 0.0222
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0123 0.0113
Echinococcus granulosus geminin 0.0205 0.0925 0.0925
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.027 0.0191
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0049 0.0049
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0019 0.0049 0.0049
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.006 0.0244 0.0234
Loa Loa (eye worm) hypothetical protein 0.0035 0.0124 0.0114
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0049 0.004
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.0205 0.0925 0.0925
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0093 0.0012
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.1842 0.8655 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0049 0.004
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1714 0.1706
Schistosoma mansoni importin beta-1 0.0035 0.0124 0.0124
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0078 0.0326 0.0248
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0269 0.026
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0026 0.0084 0.0003
Plasmodium falciparum importin beta, putative 0.0035 0.0124 0.0044
Mycobacterium leprae conserved hypothetical protein 0.0285 0.1304 0.1424
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.008 0.0071
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0269 0.0269
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0244 0.0234
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0049 0.0039
Brugia malayi RNA, U transporter 1 0.0099 0.0427 0.0418
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0244 0.0234
Echinococcus granulosus cpg binding protein 0.0037 0.0132 0.0132
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0093 0.0014
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.035 0.1612 0.1612
Leishmania major importin beta-1 subunit, putative 0.0028 0.0093 0.0012
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.2127 1 1
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0078 0.0326 0.0316
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0565 0.2627 0.2567
Echinococcus granulosus GPCR family 2 0.0019 0.0049 0.0049
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.0716 0.0738
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0662 0.3086 0.3316
Echinococcus multilocularis geminin 0.0205 0.0925 0.0925
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0269 0.0269
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0307 0.0307
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0078 0.0326 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3894 0.3894
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.2291 0.2291
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0269 0.0269
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0078 0.0326 0.0326
Loa Loa (eye worm) MBCTL1 0.0066 0.0269 0.0259
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0026 0.0084 0.0003
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Trypanosoma brucei beta lactamase 0.0077 0.0322 0.0244
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.2127 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0049 0.0039
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.008 0.007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0049 0.0049
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0093 0.0014
Plasmodium vivax ribonucleotide reductase small subunit, putative 0.0026 0.0084 0.0003
Echinococcus granulosus dnaJ subfamily B 0.0494 0.2291 0.2291
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0078 0.0326 0.0004
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0154 0.0144
Echinococcus granulosus snurportin 1 0.0372 0.1714 0.1714
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.2127 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0049 0.0049
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3894 0.3894
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0231 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3894 0.3894
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Brugia malayi mbt repeat family protein 0.0058 0.0231 0.0222
Schistosoma mansoni hypothetical protein 0.0019 0.0049 0.0049
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0285 0.1304 0.1178
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0231 0.0231
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0078 0.0326 0.0248
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0078 0.0326 0.0326
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.2127 1 1
Schistosoma mansoni hypothetical protein 0.0494 0.2291 0.2291
Onchocerca volvulus 0.0058 0.0231 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1031 0.1031
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0231 0.0231
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1031 0.1031
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0078 0.0326 0.0248
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.2127 1 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0124 0.0114
Mycobacterium ulcerans lipoprotein LpqF 0.0077 0.0322 0.0279
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.2127 1 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0124 0.0124
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0049 0.0049
Schistosoma mansoni ran 0.0026 0.008 0.008
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.1842 0.8655 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.2127 1 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.0322 0.0279
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.2127 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.2127 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0093 0.0014

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.521 uM PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
IC50 (binding) = 14.034 uM PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 5.8048 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: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 12.9953 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 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) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.0929 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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