Detailed information for compound 595159

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.185 | Formula: C16H11Cl2N3
  • H donors: 1 H acceptors: 1 LogP: 5.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C=NNc1ccnc2c1ccc(c2)Cl
  • InChi: 1S/C16H11Cl2N3/c17-12-3-1-2-11(8-12)10-20-21-15-6-7-19-16-9-13(18)4-5-14(15)16/h1-10H,(H,19,21)
  • InChiKey: XRKYRJFKHDBTQG-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0114 0.0111
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0173 0.0266
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0181 0.0179
Loa Loa (eye worm) glutathione reductase 0.0092 0.0377 0.0377
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0114 0.0331
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0181 0.0278
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0089 0.0117
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0114 0.0175
Brugia malayi Inositol-1 0.0037 0.0114 0.0107
Entamoeba histolytica hypothetical protein 0.0147 0.0642 0.0534
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0014 0.0021
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0084 0.0129
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0181 0.0553
Onchocerca volvulus 0.0031 0.0084 0.0053
Brugia malayi Pre-SET motif family protein 0.0206 0.0926 0.092
Loa Loa (eye worm) hypothetical protein 0.0163 0.0719 0.0719
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.0089 0.2082
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0031 0.0048
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0209 0.0942 0.883
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0181 0.0553
Echinococcus multilocularis geminin 0.0345 0.1596 0.2453
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0181 0.0181
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0181 0.0278
Entamoeba histolytica hypothetical protein 0.0147 0.0642 0.0534
Echinococcus granulosus lamin dm0 0.0027 0.0068 0.0105
Echinococcus granulosus tumor protein p63 0.0364 0.1687 0.2593
Echinococcus multilocularis lamin dm0 0.0027 0.0068 0.0105
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0129 0.0557 0.0837
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0089 0.025
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0084 0.0129
Echinococcus multilocularis tumor protein p63 0.0364 0.1687 0.2593
Trypanosoma brucei protein kinase, putative 0.0051 0.0181 0.0553
Schistosoma mansoni microtubule-associated protein tau 0.1367 0.6506 1
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0089 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0114 0.0112
Loa Loa (eye worm) hypothetical protein 0.0106 0.0447 0.0447
Schistosoma mansoni lipoxygenase 0.002 0.0031 0.0027
Trichomonas vaginalis set domain proteins, putative 0.0234 0.1062 0.106
Schistosoma mansoni rab6-interacting 0.002 0.0031 0.0027
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0031 0.0048
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0181 0.0553
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0162 0.0248
Treponema pallidum NADH oxidase 0.0032 0.0089 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0114 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0162 0.0248
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0181 0.0278
Trypanosoma cruzi hypothetical protein, conserved 0.0646 0.3039 1
Schistosoma mansoni hypothetical protein 0.0147 0.0642 0.0968
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0265 0.0265
Schistosoma mansoni intermediate filament proteins 0.0027 0.0068 0.0084
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0646 0.3039 1
Brugia malayi RNA binding protein 0.0068 0.0265 0.0258
Schistosoma mansoni inositol monophosphatase 0.0037 0.0114 0.0154
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0265 0.0387
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0049 0.0042
Echinococcus granulosus dnaJ subfamily B 0.086 0.4067 0.6252
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.0089 0.1586
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.0683 0.0677
Echinococcus multilocularis musashi 0.0027 0.0068 0.0105
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0181 0.0258
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.0683 0.0683
Schistosoma mansoni cpg binding protein 0.006 0.0227 0.0328
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0014 0.0021
Mycobacterium ulcerans glutaminase 0.0273 0.1247 0.1168
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2095 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0114 0.0331
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0031 0.0048
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0114 0.0025
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2095 1 1
Schistosoma mansoni lipoxygenase 0.0055 0.0201 0.0289
Onchocerca volvulus 0.2095 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0053 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0345 0.1596 0.2438
Onchocerca volvulus 0.0027 0.0068 0.0037
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0181 0.0179
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0173 0.0266
Echinococcus granulosus GPCR family 2 0.0049 0.0173 0.0266
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0212 0.0288
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0014 0.0014
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0181 0.0179
Loa Loa (eye worm) histone methyltransferase 0.002 0.0031 0.0031
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0114 0.0331
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.038 0.0584
Entamoeba histolytica hypothetical protein 0.0147 0.0642 0.0534
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0265 0.0387
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.0683 0.0677
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0181 0.3502
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.003 0.0023
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0173 0.0166
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0181 0.0553
Schistosoma mansoni hypothetical protein 0.002 0.0031 0.0027
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1449 0.6898 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0089 0.025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0014 0.0021
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0114 0.0111
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0447 0.0686
Brugia malayi isocitrate dehydrogenase 0.0016 0.0014 0.0007
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2095 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0089 0.2082
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.0227 0.0227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0084 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0162 0.0228
Schistosoma mansoni hypothetical protein 0.0044 0.0148 0.0206
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0089 0.2082
Echinococcus multilocularis GPCR, family 2 0.0049 0.0173 0.0266
Schistosoma mansoni hypothetical protein 0.0049 0.0173 0.0245
Schistosoma mansoni hypothetical protein 0.0345 0.1596 0.2438
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0089 0.0087
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0447 0.0337
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0173 0.0266
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0265 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0173 0.0173
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0014 0.0021
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0114 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0155 0.0239
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0031 0.0481
Echinococcus granulosus cpg binding protein 0.0064 0.0243 0.0374
Loa Loa (eye worm) hypothetical protein 0.0056 0.0205 0.0205
Schistosoma mansoni loxhd1 0.002 0.0031 0.0027
Schistosoma mansoni rab6-interacting 0.002 0.0031 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0032 0.0089 0.011
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0155 0.0239
Schistosoma mansoni hypothetical protein 0.0049 0.0173 0.0245
Loa Loa (eye worm) doublecortin family protein 0.002 0.0031 0.0031
Schistosoma mansoni patched 1 0.0046 0.0155 0.0218
Onchocerca volvulus 0.006 0.0227 0.0196
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0089 0.0082
Echinococcus granulosus RUN 0.002 0.0031 0.0048
Schistosoma mansoni polycystin 1-related 0.002 0.0031 0.0027
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.0926 0.0926
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0089 0.5
Toxoplasma gondii thioredoxin reductase 0.0092 0.0377 0.7618
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0181 0.0553
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0162 0.0162
Echinococcus multilocularis RUN 0.002 0.0031 0.0048
Plasmodium vivax glutathione reductase, putative 0.0092 0.0377 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0233 0.1055 0.1512
Echinococcus multilocularis expressed conserved protein 0.01 0.0416 0.0639
Schistosoma mansoni lamin 0.0027 0.0068 0.0084
Echinococcus granulosus intermediate filament protein 0.0027 0.0068 0.0105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0212 0.0325
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0114 0.0331
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0031 0.0048
Trichomonas vaginalis glutaminase, putative 0.0273 0.1247 0.1245
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0265 0.0387
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0447 0.0686
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0031 0.0048
Loa Loa (eye worm) hypothetical protein 0.0037 0.0114 0.0114
Brugia malayi CXXC zinc finger family protein 0.006 0.0227 0.022
Echinococcus granulosus expressed conserved protein 0.01 0.0416 0.0639
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0212 0.0654
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0646 0.3039 0.3037
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0084 0.0129
Onchocerca volvulus 0.0163 0.0719 0.069
Brugia malayi glutaminase DH11.1 0.0273 0.1247 0.1241
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.2095 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0212 0.0205
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0084 0.1473
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0447 0.044
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0447 0.044
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0014 0.0021
Leishmania major hypothetical protein, conserved 0.0646 0.3039 1
Loa Loa (eye worm) RNA binding protein 0.0068 0.0265 0.0265
Onchocerca volvulus 0.0234 0.1062 0.1034
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0193 0.0193
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0089 0.025
Schistosoma mansoni lamin 0.0027 0.0068 0.0084
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0233 0.1055 0.1512
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0114 0.0331
Brugia malayi CHE-14 protein 0.0046 0.0155 0.0149
Echinococcus multilocularis lamin 0.0027 0.0068 0.0105
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0014 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0155 0.0153
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0212 0.0123
Echinococcus multilocularis protein patched 0.0046 0.0155 0.0239
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0173 0.0266
Schistosoma mansoni hypothetical protein 0.0106 0.0447 0.0667
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0092 0.0377 0.0529
Schistosoma mansoni hypothetical protein 0.086 0.4067 0.6244
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2095 1 1
Plasmodium falciparum glutathione reductase 0.0092 0.0377 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0114 0.0331
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0162 0.0248
Trypanosoma brucei trypanothione reductase 0.0092 0.0377 0.1203
Schistosoma mansoni hypothetical protein 0.0049 0.0173 0.0245
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0646 0.3039 0.3037
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0147 0.0642 0.0986
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.0089 0.2082
Loa Loa (eye worm) hypothetical protein 0.0046 0.0155 0.0155
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0114 0.0175
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0014 0.0021
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0089 0.0137
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0089 0.025
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0114 0.0175
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Leishmania major trypanothione reductase 0.0092 0.0377 0.1203
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0181 0.0179
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0089 0.025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0115 0.0491 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0233 0.1055 0.1512
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0181 0.0553
Schistosoma mansoni transcription factor LCR-F1 0.0147 0.0642 0.0968
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0089 0.025
Schistosoma mansoni cpg binding protein 0.0064 0.0243 0.0354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0162 0.0228
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0162 0.0248
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0173 0.0166
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0089 0.025
Brugia malayi Doublecortin family protein 0.002 0.0031 0.0024
Echinococcus granulosus geminin 0.0345 0.1596 0.2453
Echinococcus multilocularis protein dispatched 1 0.0052 0.0186 0.0286
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0031 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0084 0.0108
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0084 0.0108
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.2095 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0233 0.1055 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0114 0.0025
Plasmodium vivax thioredoxin reductase, putative 0.0092 0.0377 1
Schistosoma mansoni hypothetical protein 0.0044 0.0148 0.0206
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0068 0.0061
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0265 0.0407
Brugia malayi Pre-SET motif family protein 0.0031 0.0084 0.0077
Loa Loa (eye worm) inositol-1 0.0037 0.0114 0.0114
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Brugia malayi hypothetical protein 0.002 0.0031 0.0024
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0114 0.0175
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0201 0.0309
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0114 0.0112
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0031 0.0048
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0181 0.0278
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0181 0.0553
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0089 0.0137
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0114 0.0175
Echinococcus granulosus tar DNA binding protein 0.0068 0.0265 0.0407
Trypanosoma cruzi hypothetical protein, conserved 0.0646 0.3039 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0089 0.025
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0193 0.0276
Echinococcus multilocularis cpg binding protein 0.0064 0.0243 0.0374
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0068 0.0068
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.0089 0.1586
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0114 0.0175
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0209 0.0942 0.1349
Loa Loa (eye worm) hypothetical protein 0.0106 0.0447 0.0447
Schistosoma mansoni hypothetical protein 0.0044 0.0148 0.0206
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0212 0.0325
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0155 0.0155
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0201 0.0309
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0209 0.0942 0.1349
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0114 0.0175
Schistosoma mansoni hypothetical protein 0.0049 0.0173 0.0245
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.2095 1 1
Entamoeba histolytica hypothetical protein 0.0147 0.0642 0.0534
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0014 0.0021
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0114 0.0154
Brugia malayi Thioredoxin reductase 0.0092 0.0377 0.0371
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0114 0.0175
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0147 0.0642 0.0986
Loa Loa (eye worm) glutaminase 0.0273 0.1247 0.1247
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2095 1 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0014 0.0007
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0209 0.0942 0.1349
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0014 0.0021
Brugia malayi MAP kinase sur-1 0.0051 0.0181 0.0174
Trypanosoma cruzi trypanothione reductase, putative 0.0092 0.0377 0.1203
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.038 0.0584
Brugia malayi TAR-binding protein 0.0068 0.0265 0.0258
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0212 0.0305
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0072 0.0111
Schistosoma mansoni glutaminase 0.0273 0.1247 0.19
Schistosoma mansoni inositol monophosphatase 0.0037 0.0114 0.0154
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2095 1 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0068 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0084 0.0108
Echinococcus multilocularis Niemann Pick C1 protein 0.0152 0.0665 0.1023
Plasmodium vivax SET domain protein, putative 0.0031 0.0084 0.1934
Mycobacterium tuberculosis Probable dehydrogenase 0.0209 0.0942 0.1349
Loa Loa (eye worm) glutaminase 2 0.0273 0.1247 0.1247
Brugia malayi intermediate filament protein 0.0027 0.0068 0.0061
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0114 0.0112
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0114 0.0154
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0114 0.0331
Brugia malayi hypothetical protein 0.002 0.0031 0.0024
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0114 0.0331
Brugia malayi glutathione reductase 0.0092 0.0377 0.0371
Echinococcus granulosus lamin 0.0027 0.0068 0.0105
Plasmodium falciparum thioredoxin reductase 0.0092 0.0377 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0031 0.0048
Loa Loa (eye worm) hypothetical protein 0.0049 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Echinococcus granulosus Niemann Pick C1 protein 0.0152 0.0665 0.1023
Onchocerca volvulus 0.0053 0.0193 0.0162
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0212 0.0123
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0265 0.0387
Echinococcus multilocularis microtubule associated protein 2 0.1367 0.6506 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0031 0.0481
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0181 0.0092
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0265 0.0387
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0209 0.0942 0.1349
Plasmodium falciparum glutathione reductase 0.0032 0.0089 0.2082
Schistosoma mansoni cpg binding protein 0.0064 0.0243 0.0354
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0265 0.0258
Echinococcus multilocularis dnaJ subfamily B 0.086 0.4067 0.6252
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0089 0.025
Schistosoma mansoni hypothetical protein 0.0044 0.0148 0.0206
Brugia malayi hypothetical protein 0.0163 0.0719 0.0713
Loa Loa (eye worm) hypothetical protein 0.0155 0.0683 0.0683
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0049 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0066 0.0066
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0162 0.0155
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0114 0.2095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0162 0.0228
Echinococcus granulosus microtubule associated protein 2 0.1367 0.6506 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0089 0.025
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2095 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0014 0.0021
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0095 0.0118
Loa Loa (eye worm) thioredoxin reductase 0.0092 0.0377 0.0377
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0108 0.0454 0.0679
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0114 0.0111
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0155 0.0239
Mycobacterium tuberculosis Probable reductase 0.0209 0.0942 0.1349
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2095 1 1
Plasmodium falciparum thioredoxin reductase 0.0032 0.0089 0.2082
Onchocerca volvulus 0.0027 0.0068 0.0037
Brugia malayi hypothetical protein 0.0147 0.0642 0.0635
Loa Loa (eye worm) hypothetical protein 0.0031 0.0084 0.0084

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -3.26 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = -2.17 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = -1.51 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 14 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 2.22 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -4 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 14 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 101 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.05 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.887 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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