Detailed information for compound 1070444

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=N/Nc1ccnc2c1ccc(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)/b20-10+
  • InChiKey: XRKYRJFKHDBTQG-KEBDBYFISA-N  


Substructure search Similarity search

Network

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

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 5 % Cytotoxicity against mouse J774 cells assessed as cell viability at 10 ug/ml by MTT assay ChEMBL. 19819134
Activity (ADMET) = 6 % Cytotoxicity against mouse J774 cells assessed as cell viability at 100 ug/ml by MTT assay ChEMBL. 19819134
Activity (ADMET) = 100 % Cytotoxicity against mouse J774 cells assessed as cell viability at 1 ug/ml by MTT assay ChEMBL. 19819134
MIC (functional) = 3.12 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate alamar blue assay ChEMBL. 19819134

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

No literature references available for this target.

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