Detailed information for compound 14372

Basic information

Technical information
  • TDR Targets ID: 14372
  • Name: 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl ]-2-oxobenzimidazole-1-carboxamide
  • MW: 377.44 | Formula: C21H23N5O2
  • H donors: 1 H acceptors: 3 LogP: 3.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCn1c(nc2c1cccc2)Cn1c(=O)n(c2c1cccc2)C(=O)N)C
  • InChi: 1S/C21H23N5O2/c1-14(2)11-12-24-16-8-4-3-7-15(16)23-19(24)13-25-17-9-5-6-10-18(17)26(20(22)27)21(25)28/h3-10,14H,11-13H2,1-2H3,(H2,22,27)
  • InChiKey: WKGNSTZTPYHNFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazole-1-carboxamide
  • 3-[(1-isopentyl-2-benzimidazolyl)methyl]-2-oxo-1-benzimidazolecarboxamide
  • 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazole-1-carboxamide
  • 3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazole-1-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.3919 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.3919 1
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0062 0.166 0.2094
Entamoeba histolytica adenosine deaminase, putative 0.0277 0.7929 1
Trichomonas vaginalis adenosine deaminase, putative 0.0277 0.7929 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0737 0.093
Brugia malayi Ectopic membrane ruffles in embryo protein 1 0.0062 0.166 0.2094
Schistosoma mansoni lamin 0.0028 0.065 0.082
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0143 0.0143
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.009 0.2475 0.6135
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0055 0.1453 0.1735
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0092 0.2512 0.2512
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0143 0.0181
Loa Loa (eye worm) hypothetical protein 0.0013 0.0216 0.0272
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0104 0.0132
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.6098 0.769
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0143 0.0181
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0143 0.0181
Loa Loa (eye worm) hypothetical protein 0.0027 0.0636 0.0801
Echinococcus multilocularis adenosine deaminase 0.0277 0.7929 0.7929
Loa Loa (eye worm) hypothetical protein 0.0009 0.0104 0.0132
Entamoeba histolytica cytidine deaminase, putative 0.0055 0.1453 0.1641
Trypanosoma brucei AMP deaminase, putative 0.009 0.2475 0.6135
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0062 0.166 0.2094
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0092 0.251 0.6229
Loa Loa (eye worm) intermediate filament protein 0.0028 0.065 0.082
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0055 0.1453 0.1724
Trypanosoma cruzi AMP deaminase, putative 0.009 0.2475 0.6135
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0143 0.0143
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0405 0.0397
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0143 0.0181
Echinococcus granulosus lamin dm0 0.0028 0.065 0.065
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0143 0.0181
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0277 0.7929 1
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0062 0.166 0.166
Onchocerca volvulus 0.001 0.0143 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0143 0.0181
Entamoeba histolytica AMP deaminase, putative 0.009 0.2475 0.2959
Loa Loa (eye worm) AMP deaminase 0.009 0.2475 0.3121
Trypanosoma brucei cytidine deaminase 0.0055 0.1453 0.3401
Leishmania major hypothetical protein, conserved 0.009 0.2475 0.3038
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0231 0.0231
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0143 0.0143
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.014 0.3919 0.3919
Onchocerca volvulus 0.0055 0.1453 0.1735
Loa Loa (eye worm) hypothetical protein 0.0013 0.0231 0.0291
Brugia malayi cytidine deaminase, identical 0.0055 0.1453 0.1833
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0043 0.1103 0.2465
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0104 0.0132
Echinococcus granulosus FTZ F1 alpha 0.001 0.0143 0.0143
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0143 0.0181
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0209 0.0264
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0143 0.0181
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0104 0.0104
Onchocerca volvulus 0.009 0.2475 0.3038
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0143 0.0181
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0277 0.7929 1
Plasmodium vivax adenosine/AMP deaminase, putative 0.009 0.2475 0.2876
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0405 0.0596
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.014 0.3919 0.4943
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0092 0.251 0.6306
Plasmodium falciparum adenosine deaminase 0.0277 0.7929 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0045 0.1152 0.1252
Loa Loa (eye worm) hypothetical protein 0.0187 0.5294 0.6676
Brugia malayi steroid hormone receptor 0.001 0.0143 0.0181
Brugia malayi Pre-SET motif family protein 0.0214 0.6098 0.769
Trypanosoma cruzi AMP deaminase 2, putative 0.009 0.2475 0.6135
Brugia malayi Globin family protein 0.0009 0.0094 0.0119
Schistosoma mansoni ap endonuclease 0.0019 0.0405 0.0511
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0013 0.0216 0.0272
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.014 0.3919 0.4943
Brugia malayi hypothetical protein 0.0009 0.0094 0.0119
Echinococcus granulosus AMP deaminase 2 0.009 0.2475 0.2475
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0187 0.5294 0.6676
Trypanosoma brucei AMP deaminase, putative 0.009 0.2475 0.6135
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0405 0.0397
Brugia malayi ecdysteroid receptor 0.001 0.0143 0.0181
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0048 0.1246 0.1572
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0143 0.0181
Trypanosoma cruzi AMP deaminase, putative 0.009 0.2475 0.6135
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Echinococcus granulosus bloom syndrome protein 0.0022 0.0481 0.0481
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0019 0.0403 0.0382
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0405 0.0172
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.1327 0.1673
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0405 0.0511
Brugia malayi nuclear receptor NHR-88 0.001 0.0143 0.0181
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0143 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0143 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0737 0.093
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Leishmania major adenine aminohydrolase 0.0277 0.7929 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.014 0.3919 0.3919
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0043 0.1103 0.2465
Echinococcus granulosus cytidine deaminase 0.0055 0.1453 0.1453
Trypanosoma cruzi AMP deaminase, putative 0.009 0.2475 0.6135
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0019 0.0403 0.0285
Echinococcus multilocularis musashi 0.0028 0.065 0.065
Schistosoma mansoni myoglobin 1 0.0009 0.0094 0.0119
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0277 0.7929 1
Schistosoma mansoni lamin 0.0028 0.065 0.082
Brugia malayi nuclear hormone receptor 0.001 0.0143 0.0181
Onchocerca volvulus AMP deaminase 2 homolog 0.009 0.2475 0.3038
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0092 0.2512 0.3008
Brugia malayi Cytochrome P450 family protein 0.0013 0.0209 0.0264
Plasmodium vivax adenosine deaminase, putative 0.0277 0.7929 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0143 0.0181
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0143 0.0143
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0405 0.0511
Schistosoma mansoni AMP deaminase 0.009 0.2475 0.3121
Schistosoma mansoni ap endonuclease 0.0019 0.0405 0.0511
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0143 0.0181
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0143 0.0181
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0405 0.0596
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0143 0.0143
Schistosoma mansoni globin X 0.0009 0.0094 0.0119
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.009 0.2475 0.3038
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Trypanosoma brucei AMP deaminase, putative 0.009 0.2475 0.6135
Mycobacterium ulcerans cytidine deaminase 0.0055 0.1453 0.1735
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0405 0.0397
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0092 0.2512 0.3168
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.014 0.3919 0.4943
Loa Loa (eye worm) globin family protein 0.0009 0.0094 0.0119
Brugia malayi Globin family protein 0.0009 0.0094 0.0119
Echinococcus granulosus adenosine deaminase 0.0277 0.7929 0.7929
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0055 0.1453 0.3401
Brugia malayi hypothetical protein 0.0009 0.0094 0.0119
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0405 0.0788
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0737 0.093
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0143 0.0181
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0019 0.0403 0.0591
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0481 0.0386
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0104 0.0132
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0481 0.0607
Trichomonas vaginalis set domain proteins, putative 0.0244 0.6962 0.8752
Plasmodium falciparum AMP deaminase, putative 0.009 0.2475 0.3029
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0209 0.0264
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0143 0.0143
Loa Loa (eye worm) RecQ helicase 0.0022 0.0481 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0143 0.0181
Leishmania major ubiquitin activating enzyme, putative 0.0019 0.0403 0.0394
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0143 0.0063
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.014 0.3919 0.4943
Loa Loa (eye worm) globin family protein 0.0009 0.0094 0.0119
Brugia malayi Adenosine/AMP deaminase family protein 0.0277 0.7929 1
Schistosoma mansoni DNA helicase recq1 0.0009 0.0104 0.0132
Onchocerca volvulus 0.0028 0.065 0.071
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0704 0.0704
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0143 0.0181
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0143 0.0181
Schistosoma mansoni adenosine deaminase 0.0277 0.7929 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0405 0.0384
Schistosoma mansoni hypothetical protein 0.0009 0.0094 0.0119
Onchocerca volvulus 0.0055 0.1453 0.1735
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0143 0.0143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0143 0.0181
Leishmania major cytidine deaminase-like protein 0.0055 0.1453 0.1735
Loa Loa (eye worm) hypothetical protein 0.009 0.2475 0.3121
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0104 0.00000000015416
Brugia malayi Pre-SET motif family protein 0.0031 0.0737 0.093
Entamoeba histolytica AMP deaminase, putative 0.009 0.2475 0.2959
Loa Loa (eye worm) hypothetical protein 0.0028 0.065 0.082
Loa Loa (eye worm) hypothetical protein 0.0009 0.0103 0.013
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0182 0.0112
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0143 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0143 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0143 0.0181
Echinococcus multilocularis tumor protein p63 0.0348 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.3919 0.4882
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0048 0.1246 0.1373
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0143 0.0181
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0737 0.0737
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.009 0.2475 0.3038
Onchocerca volvulus 0.0244 0.6962 0.8766
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0143 0.0181
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0209 0.0072
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0405 0.0405
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.014 0.3919 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0277 0.7929 1
Trypanosoma cruzi AMP deaminase, putative 0.009 0.2475 0.6135
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0143 0.0181
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0405 0.0288
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.014 0.3919 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0143 0.0181
Schistosoma mansoni DNA helicase recq5 0.0009 0.0104 0.0132
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0209 0.0264
Trichomonas vaginalis cytidine deaminase, putative 0.0055 0.1453 0.1641
Loa Loa (eye worm) hypothetical protein 0.0031 0.0737 0.093
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0062 0.166 0.1908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0143 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0737 0.093
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0048 0.1248 0.1473
Onchocerca volvulus 0.0051 0.1327 0.1573
Echinococcus multilocularis cytidine deaminase 0.0055 0.1453 0.1453
Trypanosoma cruzi cytidine deaminase-like protein 0.0055 0.1453 0.3401
Schistosoma mansoni thyroid hormone receptor 0.001 0.0143 0.0181
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.3919 1
Trypanosoma cruzi AMP deaminase, putative 0.009 0.2475 0.6135
Schistosoma mansoni coup transcription factor 0.001 0.0143 0.0181
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0405 0.0288
Leishmania major cytochrome p450-like protein 0.0013 0.0209 0.0147
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.014 0.3919 0.4762
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.3919 1
Brugia malayi Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative 0.0009 0.0094 0.0119
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0481 0.0386
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0143 0.0143
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0019 0.0403 0.0169
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0231 0.0231
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0019 0.0403 0.0591
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.014 0.3919 0.3919
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0143 0.0063
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0092 0.2512 0.2512
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0209 0.0147
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0062 0.166 0.166
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.014 0.3919 0.467
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 1
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.1103 0.1391
Echinococcus multilocularis lamin dm0 0.0028 0.065 0.065
Schistosoma mansoni adenosine deaminase-related 0.0277 0.7929 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0143 0.0181
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0104 0.0104
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0209 0.0072
Loa Loa (eye worm) hypothetical protein 0.0051 0.1327 0.1673
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.014 0.3919 0.4943
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0274 0.0345
Plasmodium vivax SET domain protein, putative 0.0031 0.0737 0.0606
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.3919 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0092 0.251 0.6229
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.009 0.2475 0.6135
Loa Loa (eye worm) hypothetical protein 0.0187 0.5294 0.6676
Onchocerca volvulus Adenosine deaminase homolog 0.0277 0.7929 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0403 0.0382
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 1
Giardia lamblia Cytidine deaminase 0.0055 0.1453 0.3536
Toxoplasma gondii AMP deaminase 0.009 0.2475 0.3029
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0737 0.0809
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0737 0.0737
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0405 0.0384
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0143 0.0143
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.014 0.3919 0.3919
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0405 0.0596
Entamoeba histolytica adenosine deaminase, putative 0.0277 0.7929 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.014 0.3919 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0043 0.1103 0.2465
Brugia malayi intermediate filament protein 0.0028 0.065 0.082
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0277 0.7929 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0143 0.0143
Echinococcus granulosus lamin 0.0028 0.065 0.065
Leishmania major AMP deaminase, putative 0.009 0.2475 0.3038
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0062 0.166 0.1988
Trichomonas vaginalis cytidine deaminase, putative 0.0055 0.1453 0.1641
Echinococcus multilocularis lamin 0.0028 0.065 0.065
Onchocerca volvulus 0.0028 0.065 0.071
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.014 0.3919 0.4882
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.3919 0.4882
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0209 0.0072
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.009 0.2475 0.3038
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0104 0.0104
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0092 0.2512 0.3008
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.065 0.082
Brugia malayi hypothetical protein 0.0009 0.0094 0.0119
Schistosoma mansoni nuclear hormone receptor 0.001 0.0143 0.0181
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0143 0.0143
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0737 0.0737
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.009 0.2475 0.6135
Echinococcus granulosus intermediate filament protein 0.0028 0.065 0.065
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0092 0.2512 0.3168
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.065 0.082
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0097 0.2655 0.3349
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Brugia malayi Cytochrome P450 family protein 0.0013 0.0209 0.0264
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0346 0.0436
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0055 0.1453 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0143 0.0181
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.014 0.3919 0.4875
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0019 0.0403 0.0591
Trichomonas vaginalis adenosine deaminase, putative 0.0277 0.7929 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.014 0.3919 0.4875
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0092 0.251 0.3083
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0481 0.0481
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0092 0.251 0.6229
Echinococcus multilocularis AMP deaminase 2 0.009 0.2475 0.2475
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0143 0.0143
Brugia malayi hypothetical protein 0.0009 0.0094 0.0119
Mycobacterium ulcerans adenosine deaminase 0.0277 0.7929 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0143 0.0181
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0268 0.0209
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0143 0.0181
Brugia malayi adenosine monophosphate deaminase 0.009 0.2475 0.3121
Brugia malayi Globin family protein 0.0009 0.0094 0.0119
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0143 0.0181
Loa Loa (eye worm) hypothetical protein 0.0187 0.5294 0.6676
Loa Loa (eye worm) hypothetical protein 0.0092 0.2512 0.3168
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0143 0.0181
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.014 0.3919 1
Onchocerca volvulus 0.0031 0.0737 0.082
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.014 0.3919 0.4824
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0405 0.0405
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0405 0.0288
Loa Loa (eye worm) hypothetical protein 0.001 0.0143 0.0181
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0043 0.1103 0.2465
Schistosoma mansoni intermediate filament proteins 0.0028 0.065 0.082
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0143 0.0181
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0274 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0143 0.0181
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.014 0.3919 0.4875
Treponema pallidum adenosine deaminase 0.0277 0.7929 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0094 0.0119
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0043 0.1103 0.2465
Loa Loa (eye worm) hypothetical protein 0.0018 0.0351 0.0443
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0097 0.2655 0.3349
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0143 0.0143

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 133.7 uM Cytotoxic activity against uninfected HEp-2 human lung epithelial carcinoma cell line ChEMBL. 14980651
CC50 (functional) = 133.7 uM Cytotoxic activity against uninfected HEp-2 human lung epithelial carcinoma cell line ChEMBL. 14980651
EC50 (functional) = 0.05 uM Antiviral activity against respiratory syncytial virus in HEp-2 human lung epithelial carcinoma cell line ChEMBL. 14980651
EC50 (functional) = 0.05 uM Antiviral activity against respiratory syncytial virus in HEp-2 human lung epithelial carcinoma cell line ChEMBL. 14980651
Therapeutic index (ADMET) = 2674 Therapeutic index expressed as the ratio between CC50 and EC50 ChEMBL. 14980651

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 14980651

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

1 literature reference was collected for this gene.

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