Detailed information for compound 416087

Basic information

Technical information
  • TDR Targets ID: 416087
  • Name: 2,3-dioxo-1H-indole-7-carboxylic acid
  • MW: 191.14 | Formula: C9H5NO4
  • H donors: 2 H acceptors: 4 LogP: 0.24 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccc2c1NC(=O)C2=O
  • InChi: 1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
  • InChiKey: ROODQCZSWXEDJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-dioxoindoline-7-carboxylic acid
  • 2,3-dioxo-7-indolinecarboxylic acid
  • 2,3-diketoindoline-7-carboxylic acid
  • KM 10113

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ligase I, DNA, ATP-dependent Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable ATP-dependent DNA ligase LigB (polydeoxyribonucleotide synthase [ATP]) (polynucleotide ligase [ATP]) (sealase) (DNA rep Get druggable targets OG5_127375 All targets in OG5_127375
Echinococcus multilocularis DNA ligase 1 Get druggable targets OG5_127375 All targets in OG5_127375
Plasmodium berghei DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Babesia bovis DNA ligase I Get druggable targets OG5_127375 All targets in OG5_127375
Plasmodium knowlesi DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Plasmodium yoelii DNA ligase 1 Get druggable targets OG5_127375 All targets in OG5_127375
Trypanosoma brucei gambiense DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Leishmania major DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Plasmodium vivax DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Leishmania braziliensis DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Trichomonas vaginalis DNA ligase IV, putative Get druggable targets OG5_127375 All targets in OG5_127375
Theileria parva DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Cryptosporidium parvum DNA LIGASE I Get druggable targets OG5_127375 All targets in OG5_127375
Loa Loa (eye worm) DNA ligase Get druggable targets OG5_127375 All targets in OG5_127375
Mycobacterium ulcerans ATP-dependent DNA ligase Get druggable targets OG5_127375 All targets in OG5_127375
Trypanosoma cruzi DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Trypanosoma brucei DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Echinococcus granulosus DNA ligase 1 Get druggable targets OG5_127375 All targets in OG5_127375
Schistosoma mansoni DNA ligase I Get druggable targets OG5_127375 All targets in OG5_127375
Neospora caninum DNA ligase (Polydeoxyribonucleotide synthase [ATP])(Lig(Tk)) (EC 6.5.1.1), related Get druggable targets OG5_127375 All targets in OG5_127375
Schistosoma mansoni DNA ligase I Get druggable targets OG5_127375 All targets in OG5_127375
Leishmania donovani DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Brugia malayi DNA ligase Get druggable targets OG5_127375 All targets in OG5_127375
Leishmania infantum DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Candida albicans DNA ligase Get druggable targets OG5_127375 All targets in OG5_127375
Schistosoma japonicum ko:K01971 DNA ligase (ATP) [EC6.5.1.1], putative Get druggable targets OG5_127375 All targets in OG5_127375
Entamoeba histolytica DNA ligase, putative Get druggable targets OG5_127375 All targets in OG5_127375
Plasmodium falciparum DNA ligase I Get druggable targets OG5_127375 All targets in OG5_127375
Trypanosoma cruzi DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127375 All targets in OG5_127375
Toxoplasma gondii DNA ligase 1, putative Get druggable targets OG5_127375 All targets in OG5_127375
Giardia lamblia DNA ligase Get druggable targets OG5_127375 All targets in OG5_127375
Leishmania mexicana DNA ligase I, putative Get druggable targets OG5_127375 All targets in OG5_127375
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
Schistosoma mansoni polycystin 1-related 0.0017 0.0008 0.0008
Giardia lamblia PHD finger protein 15 0.0024 0.0024 0.0015
Echinococcus multilocularis dna ligase 4 0.0014 0.0001 0.0001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0005 0.0005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.0005 0.0005
Echinococcus granulosus GTP binding nuclear protein Ran 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0152
Brugia malayi nuclear hormone receptor 0.0016 0.0005 0.01
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0117 0.0237 0.0237
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.0005 0.0005
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.007 0.1261
Trypanosoma brucei DNA ligase I, putative 0.0029 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0159 0.0334 0.0334
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0016 0.0005 0.0112
Entamoeba histolytica hypothetical protein, conserved 0.4383 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0024 0.0434
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0031 0.1109
Leishmania major importin beta-1 subunit, putative 0.0019 0.0013 0.0013
Brugia malayi Importin beta-1 subunit 0.0024 0.0023 0.0423
Echinococcus granulosus snurportin 1 0.0253 0.0547 0.0547
Brugia malayi jmjC domain containing protein 0.0078 0.0149 0.2692
Loa Loa (eye worm) hypothetical protein 0.0174 0.0367 0.6659
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0017 0.0009 0.0009
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0107 0.0214 0.0214
Giardia lamblia Rrm3p helicase 0.4383 1 1
Schistosoma mansoni cpg binding protein 0.007 0.013 0.0129
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0048 0.0048
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0153 0.2782
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.0005 0.01
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0112 0.0112
Onchocerca volvulus Protein ultraspiracle homolog 0.0016 0.0005 0.0112
Brugia malayi CXXC zinc finger family protein 0.007 0.013 0.2348
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.0005 0.0005
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.4383 1 1
Echinococcus granulosus jumonji domain containing protein 0.0033 0.0045 0.0045
Brugia malayi Cytochrome P450 family protein 0.0044 0.007 0.1261
Entamoeba histolytica hypothetical protein 0.0019 0.0013 0.0004
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0094 0.0094
Schistosoma mansoni ferritin light chain 0.0022 0.0019 0.0018
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0005 0.0005
Leishmania major GTP-binding protein, putative 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0023 0.0021 0.0389
Brugia malayi jmjC domain containing protein 0.0035 0.0048 0.0877
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0105 0.0105
Schistosoma mansoni hypothetical protein 0.0998 0.2254 0.2254
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0094 0.0094
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0015 0.0003 0.0003
Echinococcus multilocularis lipoxygenase domain containing protein 0.0017 0.0008 0.0008
Echinococcus granulosus DNA ligase 1 0.0029 0.0035 0.0035
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0094 0.0094
Brugia malayi Bromodomain containing protein 0.0069 0.0128 0.2312
Echinococcus multilocularis lipoxygenase domain containing protein 0.0017 0.0008 0.0008
Echinococcus multilocularis lamin 0.0047 0.0078 0.0077
Echinococcus granulosus FTZ F1 alpha 0.0016 0.0005 0.0005
Echinococcus granulosus dna ligase 4 0.0014 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0081 0.0153 0.0153
Loa Loa (eye worm) histone methyltransferase 0.0023 0.0021 0.0379
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4383 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0107 0.0214 1
Plasmodium vivax DNA ligase I, putative 0.0029 0.0035 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0063 0.1145
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0005 0.01
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.0193 0.3506
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.0005 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0153 0.0153
Echinococcus multilocularis lysine specific demethylase 5A 0.0029 0.0035 0.0035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0107 0.0214 1
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0094 0.0094
Mycobacterium ulcerans ATP-dependent DNA ligase 0.0029 0.0035 0.0853
Brugia malayi intermediate filament protein 0.0047 0.0078 0.1405
Trypanosoma cruzi DNA ligase I, putative 0.0029 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0022 0.0019 0.0353
Plasmodium falciparum phd finger protein, putative 0.0024 0.0024 0.6789
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.4383 1 1
Plasmodium falciparum importin beta, putative 0.0024 0.0023 0.6619
Onchocerca volvulus 0.007 0.013 0.2958
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0005 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.0005 0.01
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0011 0.0011
Entamoeba histolytica DNA ligase, putative 0.0029 0.0035 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0117 0.0237 0.0237
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.0367 0.6659
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0094 0.0094
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.018 0.038 0.6892
Echinococcus granulosus ferritin 0.0022 0.0019 0.0018
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0023 0.0021 0.0021
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.0005 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.0005 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.0005 0.01
Brugia malayi ecdysteroid receptor 0.0016 0.0005 0.01
Mycobacterium ulcerans aldehyde dehydrogenase 0.0107 0.0214 1
Brugia malayi MH2 domain containing protein 0.0098 0.0193 0.3506
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.0005 0.0005
Schistosoma mansoni ferritin 0.0022 0.0019 0.0018
Onchocerca volvulus 0.0204 0.0437 1
Brugia malayi RNA recognition motif domain containing protein 0.0059 0.0105 0.1897
Echinococcus granulosus mixed lineage leukemia protein mll 0.0018 0.0011 0.0011
Echinococcus multilocularis cpg binding protein 0.0076 0.0143 0.0142
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0024 0.0434
Loa Loa (eye worm) inositol-1 0.0032 0.0041 0.0752
Brugia malayi Probable ATP-dependent helicase DHX35 0.0035 0.0049 0.0886
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.018 0.038 0.6892
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4383 1 1
Brugia malayi Doublecortin family protein 0.0017 0.0008 0.0152
Plasmodium vivax hypothetical protein, conserved 0.0024 0.0024 0.6789
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0041 0.0041
Brugia malayi TAR-binding protein 0.0059 0.0105 0.1897
Leishmania major DNA ligase I, putative 0.0029 0.0035 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0255 0.0552 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0005 0.01
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.0005 0.01
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0117 0.0237 0.4298
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0153 0.2782
Schistosoma mansoni hypothetical protein 0.0253 0.0547 0.0547
Treponema pallidum bacterioferrin (TpF1) 0.0022 0.0019 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0094 0.0094
Schistosoma mansoni inositol monophosphatase 0.0032 0.0041 0.0041
Onchocerca volvulus Bile acid receptor homolog 0.0016 0.0005 0.0112
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0094 0.0088
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0094 0.1696
Schistosoma mansoni aldehyde dehydrogenase 0.0107 0.0214 0.0214
Echinococcus multilocularis dnaJ subfamily B 0.0998 0.2254 0.2254
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0005 0.0005
Schistosoma mansoni zinc finger protein 0.0021 0.0017 0.0017
Brugia malayi Bromodomain containing protein 0.0026 0.0029 0.0519
Entamoeba histolytica DNA repair and recombination protein, putative 0.4383 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0023 0.0023
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0013 0.0008
Loa Loa (eye worm) CXXC zinc finger family protein 0.007 0.013 0.2348
Brugia malayi Intermediate filament tail domain containing protein 0.0047 0.0078 0.1405
Schistosoma mansoni hypothetical protein 0.0081 0.0153 0.0153
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.4383 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0033 0.0045 0.0045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0032 0.0041 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0023 0.0423
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0017 0.0009 0.0009
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.0005 0.01
Schistosoma mansoni hypothetical protein 0.0024 0.0024 0.0024
Echinococcus granulosus GPCR family 2 0.0081 0.0153 0.0153
Onchocerca volvulus Alhambra homolog 0.0024 0.0024 0.0534
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.0005 0.0005
Toxoplasma gondii histone lysine methyltransferase SET1 0.0136 0.028 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0032 0.0041 0.0036
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0103 0.0204 0.0204
Giardia lamblia DNA ligase 0.0029 0.0035 0.0026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0048 0.0048
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.0005 0.01
Echinococcus multilocularis Polycystic kidney disease protein 0.0017 0.0008 0.0008
Echinococcus granulosus DNA ligase 3 0.0014 0.0001 0.0001
Brugia malayi cytoplasmic intermediate filament protein 0.0025 0.0027 0.0493
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0023 0.0023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0005 0.0005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0013 0.0008
Schistosoma mansoni cpg binding protein 0.0076 0.0143 0.0142
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0253 0.0547 0.9923
Brugia malayi DNA ligase 0.0029 0.0035 0.0638
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0005 0.0005
Echinococcus granulosus intermediate filament protein 0.0047 0.0078 0.0077
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0023 0.0021 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0255 0.0552 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0017 0.0008 0.2362
Plasmodium vivax SET domain protein, putative 0.0027 0.0031 0.884
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.0005 0.0005
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0024 0.0024 0.0024
Schistosoma mansoni intermediate filament proteins 0.0047 0.0078 0.0077
Schistosoma mansoni hypothetical protein 0.0081 0.0153 0.0153
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.0005 0.0005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0005 0.0005
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0028 0.0034 0.1584
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0005 0.01
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0255 0.0552 1
Schistosoma mansoni DNA ligase I 0.0029 0.0035 0.0035
Trypanosoma cruzi DNA ligase I, putative 0.0029 0.0035 0.0035
Echinococcus granulosus Polycystic kidney disease protein 0.0017 0.0008 0.0008
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0056 0.0097 0.0097
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0003 0.0003
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0005 0.01
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0105 0.0105
Echinococcus multilocularis snurportin 1 0.0253 0.0547 0.0547
Schistosoma mansoni ferritin 0.0022 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.0174 0.0367 0.0367
Echinococcus granulosus RUN 0.0017 0.0008 0.0008
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0017 0.0009 0.2544
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0041 0.0041
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0032 0.0041 0.1176
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.4383 1 1
Brugia malayi nuclear receptor NHR-88 0.0016 0.0005 0.01
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0094 0.0094
Plasmodium falciparum DNA ligase I 0.0029 0.0035 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0094 0.0094
Echinococcus granulosus tar DNA binding protein 0.0059 0.0105 0.0105
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0056 0.0097 0.0097
Loa Loa (eye worm) PHD-finger family protein 0.0018 0.001 0.0185
Schistosoma mansoni lamin 0.0047 0.0078 0.0077
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0003 0.0003
Trypanosoma brucei protein kinase, putative 0.0054 0.0094 0.0094
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0094 0.0088
Echinococcus granulosus peregrin 0.0026 0.0029 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0105 0.0105
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0009 0.0009
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0017 0.0009 0.0319
Trichomonas vaginalis inositol monophosphatase, putative 0.0032 0.0041 0.0036
Onchocerca volvulus 0.0027 0.0031 0.0699
Brugia malayi steroid hormone receptor 0.0016 0.0005 0.01
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0009 0.0009
Onchocerca volvulus 0.0016 0.0005 0.0112
Loa Loa (eye worm) DEAH box polypeptide 35 0.0035 0.0049 0.0886
Echinococcus multilocularis expressed protein 0.0022 0.0019 0.0018
Schistosoma mansoni mixed-lineage leukemia protein mll 0.015 0.0312 0.0311
Trichomonas vaginalis ferritin, putative 0.0022 0.0019 0.0013
Echinococcus multilocularis tar DNA binding protein 0.0059 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0022 0.0019 0.0353
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0117 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.0033 0.0046 0.0825
Echinococcus multilocularis musashi 0.0047 0.0078 0.0077
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0017 0.0009 0.2544
Schistosoma mansoni hypothetical protein 0.0018 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.0005 0.01
Echinococcus multilocularis DNA ligase 1 0.0029 0.0035 0.0035
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0031 0.0031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0117 0.0237 0.0237
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0117 0.0237 0.4298
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0032 0.0041 0.0032
Loa Loa (eye worm) intermediate filament protein 0.0047 0.0078 0.1405
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0025 0.0025
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0153 0.2782
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Loa Loa (eye worm) RNA binding protein 0.0059 0.0105 0.1897
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0032 0.0041 0.0036
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Toxoplasma gondii DNA ligase 1, putative 0.0029 0.0035 0.1254
Mycobacterium tuberculosis Probable ATP-dependent DNA ligase LigB (polydeoxyribonucleotide synthase [ATP]) (polynucleotide ligase [ATP]) (sealase) (DNA rep 0.0015 0.0004 0.017
Echinococcus granulosus histone lysine methyltransferase setb 0.0042 0.0065 0.0065
Brugia malayi hypothetical protein 0.0017 0.0008 0.0152
Brugia malayi Bromodomain containing protein 0.0033 0.0045 0.0822
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0025 0.0027 0.0493
Schistosoma mansoni DNA ligase IV 0.0014 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0081 0.0153 0.2782
Loa Loa (eye worm) hypothetical protein 0.0046 0.0076 0.1369
Brugia malayi RNA binding protein 0.0059 0.0105 0.1897
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0023 0.0023
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0107 0.0214 0.0214
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0035 0.0049 0.0886
Trichomonas vaginalis conserved hypothetical protein 0.4383 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4383 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.0005 0.0005
Schistosoma mansoni ferritin 0.0022 0.0019 0.0018
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.0005 0.0005
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0032 0.0041 0.1479
Onchocerca volvulus 0.0017 0.0008 0.0178
Echinococcus multilocularis geminin 0.0159 0.0334 0.0334
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0023 0.0021 0.0021
Echinococcus multilocularis GPCR, family 2 0.0081 0.0153 0.0153
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4383 1 1
Schistosoma mansoni rab6-interacting 0.0017 0.0008 0.0008
Echinococcus granulosus cpg binding protein 0.0076 0.0143 0.0142
Schistosoma mansoni ferritin light chain 0.0022 0.0019 0.0018
Brugia malayi isocitrate dehydrogenase 0.0014 0.0000092906 0.0002
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.0005 0.0005
Schistosoma mansoni bromodomain containing protein 0.0059 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0042 0.0065 0.0065
Echinococcus granulosus importin subunit beta 1 0.0024 0.0023 0.0023
Brugia malayi Pre-SET motif family protein 0.0027 0.0031 0.0564
Schistosoma mansoni aldehyde dehydrogenase 0.0107 0.0214 0.0214
Loa Loa (eye worm) bromodomain containing protein 0.0015 0.0004 0.0078
Trichomonas vaginalis importin beta-1, putative 0.0019 0.0013 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0005 0.01
Toxoplasma gondii ATP-dependent DNA ligase domain-containing protein 0.0014 0.0001 0.0019
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0078 0.0149 0.0148
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.01
Brugia malayi hypothetical protein 0.0017 0.0008 0.0152
Echinococcus multilocularis ferritin 0.0022 0.0019 0.0018
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0094 0.0094
Echinococcus multilocularis zinc finger protein 0.0021 0.0017 0.0017
Echinococcus granulosus zinc finger protein 0.0021 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.4383 1 1
Schistosoma mansoni inositol monophosphatase 0.0032 0.0041 0.0041
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.1179
Echinococcus granulosus lamin dm0 0.0047 0.0078 0.0077
Brugia malayi MAP kinase sur-1 0.0054 0.0094 0.1696
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.091
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.0005 0.01
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0152
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0023 0.0023
Schistosoma mansoni loxhd1 0.0017 0.0008 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0048 0.0877
Brugia malayi PHD-finger family protein 0.0026 0.0028 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.0005 0.01
Plasmodium vivax importin-beta 2, putative 0.0024 0.0023 0.6619
Onchocerca volvulus 0.0017 0.0008 0.0178
Schistosoma mansoni hypothetical protein 0.0081 0.0153 0.0153
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0031 0.0041 0.0041
Schistosoma mansoni ferritin 0.0022 0.0019 0.0018
Echinococcus multilocularis PHD finger protein rhinoceros 0.0024 0.0024 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0117 0.0237 0.0237
Echinococcus granulosus expressed protein 0.0022 0.0019 0.0018
Echinococcus granulosus inositol monophosphatase 1 0.0032 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0042 0.0065 0.0065
Echinococcus granulosus methyl CpG binding domain protein 2 0.0015 0.0003 0.0003
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0047 0.0078 0.1405
Echinococcus granulosus lamin 0.0047 0.0078 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.0005 0.01
Schistosoma mansoni hypothetical protein 0.0017 0.0008 0.0008
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0023 0.0021 0.0021
Schistosoma mansoni apoferritin-2 0.0022 0.0019 0.0018
Brugia malayi Inositol-1 0.0032 0.0041 0.0752
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0105 0.0105
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0031 0.0031
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.0042 0.0761
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.0005 0.0005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0026 0.0029 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0098 0.0193 0.3506
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0042 0.0065 0.0065
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.0024 0.0852
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.0005 0.01
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.0005 0.0005
Loa Loa (eye worm) isocitrate dehydrogenase 0.0014 0.0000092906 0.0002
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.0005 0.0005
Schistosoma mansoni lipoxygenase 0.0103 0.0204 0.0204
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0094 0.0088
Loa Loa (eye worm) hypothetical protein 0.0255 0.0552 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0094 0.0088
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0094 0.0094
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0153 0.0153
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.0005 0.01
Echinococcus multilocularis DNA ligase 3 0.0014 0.0001 0.0001
Trichomonas vaginalis DNA ligase IV, putative 0.0029 0.0035 0.003
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.0005 0.0005
Trichomonas vaginalis set domain proteins, putative 0.0204 0.0437 0.0431
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0018 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.0005 0.01
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.0005 0.0005
Schistosoma mansoni lamin 0.0047 0.0078 0.0077
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0011 0.0011
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0041 0.0041
Echinococcus multilocularis hypothetical protein 0.0014 0.0001 0.0001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0117 0.0237 0.0237
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0048 0.0048
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0094 0.0094
Echinococcus granulosus lipoxygenase domain containing protein 0.0017 0.0008 0.0008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0005 0.0005
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0028 0.0034 1
Loa Loa (eye worm) DNA ligase III 0.0014 0.0001 0.0011
Schistosoma mansoni coup transcription factor 0.0016 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.0005 0.01
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0107 0.0214 0.0214
Toxoplasma gondii aldehyde dehydrogenase 0.0107 0.0214 0.763
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0017 0.0009 0.0163
Echinococcus multilocularis RUN 0.0017 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0005 0.01
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0022 0.0019 0.0864
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.0082 0.1491
Trypanosoma cruzi importin beta-1 subunit, putative 0.0019 0.0013 0.0013
Trichomonas vaginalis ran, putative 0.0017 0.0009 0.0004
Echinococcus granulosus PHD finger protein rhinoceros 0.0024 0.0024 0.0024
Echinococcus granulosus geminin 0.0159 0.0334 0.0334
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0022 0.0019 0.0864
Schistosoma mansoni ran 0.0017 0.0009 0.0009
Echinococcus granulosus dnaJ subfamily B 0.0998 0.2254 0.2254
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0078 0.0149 0.0148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0117 0.0237 0.0237
Brugia malayi DNA ligase III 0.0014 0.0001 0.0011
Schistosoma mansoni importin beta-1 0.0024 0.0023 0.0023
Echinococcus multilocularis peregrin 0.0026 0.0029 0.0029
Schistosoma mansoni DNA ligase I 0.0029 0.0035 0.0035
Echinococcus multilocularis inositol monophosphatase 1 0.0032 0.0041 0.0041
Schistosoma mansoni cpg binding protein 0.0076 0.0143 0.0142
Plasmodium falciparum LCCL domain-containing protein 0.0017 0.0008 0.2362
Loa Loa (eye worm) hypothetical protein 0.0061 0.011 0.1991
Schistosoma mansoni ran 0.0017 0.0009 0.0009
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0094 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0005 0.01
Brugia malayi RNA, U transporter 1 0.0067 0.0123 0.2233
Loa Loa (eye worm) TAR-binding protein 0.0059 0.0105 0.1897
Onchocerca volvulus 0.0047 0.0078 0.1764
Onchocerca volvulus 0.0047 0.0078 0.1764
Loa Loa (eye worm) hypothetical protein 0.0047 0.0078 0.1405
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.0005 0.01
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0059 0.0105 0.1897
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0023 0.083
Brugia malayi PHD-finger family protein 0.0024 0.0024 0.0434
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0017 0.0009 0.0163
Schistosoma mansoni apoferritin-2 0.0022 0.0019 0.0018
Schistosoma mansoni rab6-interacting 0.0017 0.0008 0.0008
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.0024 0.0852
Brugia malayi Isocitrate dehydrogenase 0.0014 0.0000092906 0.0002
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0094 0.3341
Mycobacterium ulcerans aldehyde dehydrogenase 0.0107 0.0214 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0031 0.0041 0.0041
Echinococcus multilocularis lamin dm0 0.0047 0.0078 0.0077
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0105 0.0105
Loa Loa (eye worm) DNA ligase 0.0029 0.0035 0.0638
Echinococcus granulosus lipoxygenase domain containing protein 0.0017 0.0008 0.0008
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0103 0.0204 0.0204
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0023 0.0023
Schistosoma mansoni lipoxygenase 0.0072 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0041 0.0063 0.1143
Loa Loa (eye worm) doublecortin family protein 0.0017 0.0008 0.0152
Schistosoma mansoni hypothetical protein 0.0159 0.0334 0.0334

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 uM Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay ChEMBL. 18630893
Inhibition (binding) = 59.3 % Inhibition of human recombinant DNA ligase 1 at 100 uM by fluorescence energy transfer-based DNA joining assay relative to control ChEMBL. 18630893
Ki (binding) = 4 uM Inhibition of human recombinant DNA ligase 1 using nicked DNA substrate by kinetic assay ChEMBL. 18630893
Ki (binding) > 100 uM Inhibition of human intestinal carboxylesterase expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human liver CE1 expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of rabbit liver carboxylesterase expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human AChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human BChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human liver CE1 expressed in sf21 cells ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human AChE ChEMBL. 17378546
Ki (binding) > 100 uM Inhibition of human BChE ChEMBL. 17378546

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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