Detailed information for compound 1070454

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.207 | Formula: C18H12Cl2N2O
  • H donors: 0 H acceptors: 2 LogP: 4.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)/C=C/c1ccc(cc1)n1cncc1
  • InChi: 1S/C18H12Cl2N2O/c19-14-4-7-16(17(20)11-14)18(23)8-3-13-1-5-15(6-2-13)22-10-9-21-12-22/h1-12H/b8-3+
  • InChiKey: CJUWCQRHWFPLGN-FPYGCLRLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum cysteine proteinase falcipain 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi knowpain-1 Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium vivax unspecified product Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium vivax unspecified product Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium yoelii cysteine proteinase precursor Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium vivax vivapain-1 Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium berghei berghepain-1 Get druggable targets OG5_141501 All targets in OG5_141501
Plasmodium falciparum cysteine proteinase falcipain 1 Get druggable targets OG5_141501 All targets in OG5_141501
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii cathepsin B cysteine proteinase falcipain 1 569 aa 516 aa 20.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0025 0.0034 0.0054
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0384 0.0611
Loa Loa (eye worm) hypothetical protein 0.0031 0.0197 0.0102
Brugia malayi follicle stimulating hormone receptor 0.0238 0.6339 0.8808
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Echinococcus multilocularis geminin 0.0164 0.4151 0.4131
Brugia malayi Inositol-1 0.008 0.1645 0.2155
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0096 0.2127 0.21
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2028 0.2001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0197 0.0179
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.6339 0.8808
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0096 0.2127 0.4973
Brugia malayi beta-lactamase family protein 0.0037 0.0384 0.0368
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0182 0.0222
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0197 0.0179
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0197 0.0164
Schistosoma mansoni inositol monophosphatase 0.008 0.1645 0.3776
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.008 0.1645 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.2164 0.3199
Mycobacterium tuberculosis Conserved protein 0.0037 0.0384 0.0611
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.3635 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0096 0.2127 0.2838
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Brugia malayi Pre-SET motif family protein 0.0214 0.5624 0.7794
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Onchocerca volvulus 0.0037 0.0384 0.0407
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.0285
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.2597 0.2572
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.2597 0.6141
Schistosoma mansoni inositol monophosphatase 0.008 0.1645 0.3776
Loa Loa (eye worm) hypothetical protein 0.0048 0.0723 0.0847
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0182 0.0856
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.2127 0.3652
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2028 0.2001
Trichomonas vaginalis myo inositol monophosphatase, putative 0.008 0.1645 0.1977
Schistosoma mansoni hypothetical protein 0.0164 0.4151 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.238 0.8201
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0125 0.043
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.2597 0.2572
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2597 0.3144
Loa Loa (eye worm) hypothetical protein 0.0085 0.1819 0.2402
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0034 0.0059
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0025 0.0034 0.0054
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.2597 0.3504
Brugia malayi Pre-SET motif family protein 0.0031 0.0197 0.0102
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0384 0.1057
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0096 0.2127 0.21
Onchocerca volvulus 0.0085 0.1819 0.2658
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.3635 0.5778
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3425 0.8196
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.008 0.1645 0.2854
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0452 0.042
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0712 0.0831
Onchocerca volvulus 0.0037 0.0384 0.0407
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2597 0.3144
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0384 0.1057
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0806 0.0965
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0384 0.0351
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0384 0.0611
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.2902 0.7983
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0384 0.0368
Trichomonas vaginalis myo inositol monophosphatase, putative 0.008 0.1645 0.1977
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0326 0.0285
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0112 0.2597 0.7146
Mycobacterium ulcerans lipase LipD 0.0037 0.0384 0.1057
Brugia malayi hypothetical protein 0.0267 0.718 1
Giardia lamblia Fructose-bisphosphate aldolase 0.03 0.8186 1
Echinococcus granulosus geminin 0.0164 0.4151 0.4131
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2597 0.3173
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Schistosoma mansoni survival motor neuron protein 0.0054 0.0898 0.192
Brugia malayi jmjC domain containing protein 0.0034 0.0301 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.5764 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1016 0.1263
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.0054 0.0898 0.192
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0063 0.1142 0.3936
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0096 0.2127 0.2598
Giardia lamblia Kinase, PLK 0.0097 0.2164 0.2529
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0712 0.0831
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.2597 0.7146
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.0034 0.0093
Onchocerca volvulus 0.0054 0.0898 0.1213
Leishmania major ATP-dependent phosphofructokinase 0.0112 0.2597 0.4506
Echinococcus multilocularis inositol monophosphatase 1 0.008 0.1645 0.1617
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0384 0.0611
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0163 0.013
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0384 0.0368
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.2164 0.289
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.238 0.2878
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0063 0.1142 0.3143
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0384 0.0644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3425 0.8196
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.3425 0.4677
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0182 0.0559
Echinococcus granulosus inositol monophosphatase 1 0.008 0.1645 0.1617
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Onchocerca volvulus 0.0031 0.0197 0.0113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0384 0.0611
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.2597 0.3173
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3425 0.8196
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0182 0.0182
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.2164 0.2643
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.238 0.2878
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0182 0.0559
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0182 0.0628
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0122 0.2902 0.5034
Schistosoma mansoni hypothetical protein 0.0164 0.4151 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.1819 0.1791
Mycobacterium tuberculosis Conserved protein 0.0037 0.0384 0.0611
Plasmodium vivax unspecified product 0.0134 0.326 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0096 0.2127 0.5852
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0182 0.0559
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0384 0.0611
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0122 0.2902 0.2877
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.5624 0.7794
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0125 0.043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0806 0.0965
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2597 0.3173
Mycobacterium ulcerans hypothetical protein 0.0037 0.0384 0.1057
Mycobacterium leprae Probable lipase LipE 0.0037 0.0384 0.1057
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.2597 0.4506
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.1152 0.1831
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0182 0.0559
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0104 0.238 0.7299
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0898 0.1096
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.1152 0.1456
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0122 0.2902 0.4613
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0384 0.0351
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.6291 1
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.2902 0.6897
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0125 0.0383
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0125 0.0091
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.2164 0.2137
Brugia malayi beta-lactamase family protein 0.0037 0.0384 0.0368
Loa Loa (eye worm) hypothetical protein 0.0051 0.0806 0.0965
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.008 0.1645 0.4527
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.718 0.7171
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2164 0.5064
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0384 0.1057
Plasmodium vivax SET domain protein, putative 0.0031 0.0197 0.0604
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0071 0.1398 0.3847
Echinococcus granulosus peregrin 0.0028 0.0125 0.0091
Onchocerca volvulus 0.0037 0.0384 0.0407
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3425 0.3402
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1152 0.1122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0301 0.0437
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.3425 0.4677
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0301 0.0268
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.1819 0.1791
Brugia malayi glucose-6-phosphate dehydrogenase 0.0096 0.2127 0.2838
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0096 0.2127 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0301 0.0437
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.2902 0.7983
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0197 0.0164
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.2164 0.3754
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0104 0.238 0.2878
Loa Loa (eye worm) phosphofructokinase 0.0112 0.2597 0.3504
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.2597 0.6141
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0384 0.043
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.1645 0.2812
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0031 0.0202 0.0292
Trichomonas vaginalis inositol monophosphatase, putative 0.008 0.1645 0.1977
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0071 0.1398 0.2223
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0096 0.2127 0.369
Trichomonas vaginalis esterase, putative 0.0037 0.0384 0.043
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0229 0.034
Entamoeba histolytica myo-inositol monophosphatase, putative 0.008 0.1645 0.201
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1465 0.3329
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2597 0.3173
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0182 0.0628
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0384 0.043
Toxoplasma gondii ABC1 family protein 0.0037 0.0384 0.1324
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.03 0.8186 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3425 0.3402
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0917 0.1123
Leishmania major hypothetical protein, conserved 0.0037 0.0384 0.0667
Onchocerca volvulus 0.0244 0.6499 1
Treponema pallidum fructose-bisphosphate aldolase 0.03 0.8186 1
Brugia malayi 6-phosphofructokinase 0.0112 0.2597 0.3504
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0197 0.0179
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.1152 0.2552
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.2902 0.7983
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.2164 0.2137
Mycobacterium ulcerans hypothetical protein 0.0025 0.0034 0.0093
Schistosoma mansoni kinase 0.0049 0.075 0.1552
Loa Loa (eye worm) hypothetical protein 0.0267 0.718 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0034 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3425 0.3402
Toxoplasma gondii aldehyde dehydrogenase 0.0122 0.2902 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0384 0.043
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0104 0.238 0.2797
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1152 0.317
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.2164 0.289
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0197 0.0679
Trypanosoma brucei hypothetical protein, conserved 0.0219 0.5764 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0384 0.0667
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.3635 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0384 0.1057
Loa Loa (eye worm) beta-lactamase 0.0037 0.0384 0.0368
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0182 0.0628
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0182 0.0222
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0806 0.0965
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0182 0.0071
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.238 0.7299
Mycobacterium ulcerans hypothetical protein 0.0025 0.0034 0.0093
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0182 0.0856
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.2127 0.369
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0384 0.043
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2164 0.3717
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.1645 0.2854
Trypanosoma brucei polo-like protein kinase 0.0097 0.2164 0.3754
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0384 0.0611
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.1819 0.4208
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0452 0.042
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.2902 0.6897
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0122 0.2902 0.2877
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.2597 0.3504
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.1819 0.2402
Plasmodium falciparum cysteine proteinase falcipain 1 0.0134 0.326 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.03 0.8186 1
Echinococcus multilocularis peregrin 0.0028 0.0125 0.0091
Plasmodium falciparum phd finger protein, putative 0.0028 0.0125 0.0383
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0301 0.025
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0197 0.0164
Plasmodium vivax vivapain-1 0.0134 0.326 1
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2597 0.3144
Schistosoma mansoni hypothetical protein 0.0035 0.0326 0.0499
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.2597 0.4473
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Loa Loa (eye worm) hypothetical protein 0.0037 0.0384 0.0368
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0034 0.0093
Loa Loa (eye worm) inositol-1 0.008 0.1645 0.2155
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0384 0.0611
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0384 0.0611
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.1152 0.1999
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1152 0.317
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0384 0.0611
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0301 0.0268
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0182 0.0182
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0125 0.0091
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1152 0.1122
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.5764 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0033 0.0273 0.0434
Brugia malayi phosphofructokinase 0.0112 0.2597 0.3504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3425 0.3402
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.008 0.1645 0.567
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.718 0.7171
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0384 0.0644
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2164 0.3717
Brugia malayi jmjC domain containing protein 0.0093 0.2028 0.2698
Leishmania major hypothetical protein, conserved 0.0219 0.5764 1
Brugia malayi beta-lactamase 0.0037 0.0384 0.0368
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2164 0.2613
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.8186 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0384 0.043
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.2597 0.4129
Brugia malayi 6-phosphofructokinase 0.0112 0.2597 0.3504
Trichomonas vaginalis set domain proteins, putative 0.0244 0.6499 0.7931
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0197 0.0179
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.1645 0.2812
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0384 0.1178
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0384 0.0611
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2597 0.3144
Plasmodium vivax unspecified product 0.0125 0.2996 0.9191

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.928 Inhibition of Plasmodium falciparum W2 cysteine protease ChEMBL. No reference
IC50 (functional) = 0.72 ug ml-1 Antileishmanial activity against Leishmania major promastigotes after 72 hrs ChEMBL. 19664864
IC50 (binding) = 1.18 uM Inhibition of Plasmodium falciparum W2 cysteine protease ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania major ChEMBL23 19664864

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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