Detailed information for compound 1792628

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.909 | Formula: C23H25ClN2O4
  • H donors: 0 H acceptors: 2 LogP: 4.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(CC(=O)OCCN(C)C)c(n2C(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C23H25ClN2O4/c1-15-19(14-22(27)30-12-11-25(2)3)20-13-18(29-4)9-10-21(20)26(15)23(28)16-5-7-17(24)8-6-16/h5-10,13H,11-12,14H2,1-4H3
  • InChiKey: VWGWPHLHPFNKDD-UHFFFAOYSA-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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.02 0.02
Trypanosoma brucei glucosidase, putative 0.0043 0.0079 0.0057
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0046 0.0089 0.0009
Entamoeba histolytica hypothetical protein 0.0076 0.02 0.0304
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0036 0.0036
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0036 0.0036
Mycobacterium ulcerans hypothetical protein 0.005 0.0104 0.014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.0497 0.0463
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0046 0.0089 0.0009
Echinococcus granulosus phosphoglycerate mutase 0.0046 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0047 0.0094 0.0058
Loa Loa (eye worm) hypothetical protein 0.0042 0.0073 0.0037
Loa Loa (eye worm) hypothetical protein 0.005 0.0104 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 0.0284
Leishmania major hypothetical protein, conserved 0.0046 0.0089 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0088 0.0093
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0046 0.0089 0.0113
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0036 0.0303
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0088 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0415 0.0415
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0046 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0106 0.0314 0.0314
Trypanosoma brucei polo-like protein kinase 0.0092 0.026 0.0238
Schistosoma mansoni kinase 0.0047 0.0092 0.0092
Plasmodium falciparum phosphoglucomutase-2 0.0046 0.0089 0.4484
Schistosoma mansoni patched 1 0.0089 0.0249 0.0249
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0049 0.0101 0.0101
Echinococcus granulosus phosphoglycerate mutase 0.0046 0.0089 0.0089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0084 0.0084
Brugia malayi Pre-SET motif family protein 0.0249 0.0844 0.93
Echinococcus multilocularis lysosomal alpha glucosidase 0.0195 0.0643 0.0643
Schistosoma mansoni hypothetical protein 0.0049 0.0101 0.0101
Echinococcus granulosus Protein patched homolog 1 0.0089 0.0249 0.0249
Plasmodium vivax phosphoglucomutase-2, putative 0.0046 0.0089 0.4484
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0048 0.0048
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.0057 0.2352
Giardia lamblia Kinase, PLK 0.0092 0.026 0.0365
Leishmania major glycerolphosphate mutase, putative 0.0046 0.0089 0.0066
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0046 0.0089 0.0113
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0022 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0101 0.0101
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0046 0.0089 0.4484
Giardia lamblia Pyruvate kinase 0.0068 0.017 0.021
Loa Loa (eye worm) hypothetical protein 0.0068 0.017 0.0135
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0211 0.0701 0.0701
Treponema pallidum phosphoglyceromutase 0.0046 0.0089 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0052 0.0113 0.0077
Mycobacterium ulcerans glutaminase 0.0266 0.0907 0.1513
Toxoplasma gondii phosphoglycerate mutase 0.0046 0.0089 0.3987
Loa Loa (eye worm) hypothetical protein 0.0046 0.0089 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0036 0.0303
Mycobacterium ulcerans pyruvate kinase 0.0068 0.017 0.0253
Mycobacterium ulcerans acid phosphatase 0.0046 0.0089 0.0113
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0046 0.0089 0.0009
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0089 0.4484
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0189 0.0189
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0046 0.0089 0.0089
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.005 0.0757
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0046 0.0089 0.1846
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0046 0.0089 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0314 0.3399
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0104 0.0082
Echinococcus multilocularis geminin 0.0185 0.0606 0.0606
Echinococcus granulosus tumor protein p63 0.0695 0.2501 0.2501
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0104 0.014
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0036 0.0303
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.026 0.026
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0046 0.0089 0.0009
Echinococcus granulosus phosphoglycerate mutase 0.0046 0.0089 0.0089
Toxoplasma gondii phosphoglycerate mutase family protein 0.0046 0.0089 0.3987
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.026 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0084 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0036 0.0303
Schistosoma mansoni alpha-glucosidase 0.0168 0.0542 0.0542
Schistosoma mansoni pyruvate kinase 0.0068 0.017 0.017
Mycobacterium ulcerans phosphoglycerate mutase 0.0046 0.0089 0.0113
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Echinococcus granulosus tar DNA binding protein 0.0134 0.0415 0.0415
Echinococcus granulosus pyruvate kinase 0.0035 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0208 0.0689 0.0656
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0046 0.0089 0.1846
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1601 0.5868 1
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0046 0.0089 0.1846
Trypanosoma cruzi pyruvate kinase 2, putative 0.0068 0.017 0.0092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.0497 0.5436
Mycobacterium ulcerans phosphoglycerate mutase 0.0046 0.0089 0.0113
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0036 0.0036
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0189 0.0166
Schistosoma mansoni hypothetical protein 0.0086 0.0237 0.0237
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1601 0.5868 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2714 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2668 0.983 0.9829
Brugia malayi AMP-binding enzyme family protein 0.005 0.0104 0.1064
Echinococcus multilocularis pyruvate kinase 0.0068 0.017 0.017
Echinococcus multilocularis Niemann Pick C1 protein 0.0208 0.0689 0.0689
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0104 0.014
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.005 0.0104 0.0069
Leishmania major phosphoglycerate mutase protein, putative 0.0046 0.0089 0.0066
Onchocerca volvulus Pyruvate kinase homolog 0.0068 0.017 0.0166
Schistosoma mansoni coup transcription factor 0.0032 0.0036 0.0036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0036 0.0303
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0046 0.0089 0.1846
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0189 0.0189
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0113 0.0113
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0046 0.0089 0.0066
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0288 0.0288
Toxoplasma gondii phosphoglycerate mutase family protein 0.0046 0.0089 0.3987
Loa Loa (eye worm) hypothetical protein 0.2714 1 1
Echinococcus granulosus pyruvate kinase 0.0068 0.017 0.017
Trypanosoma brucei pyruvate kinase 1 0.0068 0.017 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0089 0.0106
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0104 0.2278
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0046 0.0089 0.0066
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0036 0.0036
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0036 0.0036
Echinococcus granulosus pyruvate kinase 0.0035 0.0048 0.0048
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0046 0.0089 0.0113
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.2668 0.983 0.9829
Echinococcus multilocularis expressed conserved protein 0.0195 0.0643 0.0643
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0288 0.0288
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0125 0.0381 0.4146
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0415 0.0415
Brugia malayi Niemann-Pick C1 protein precursor 0.0208 0.0689 0.7579
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0101 0.0101
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0084 0.0048
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0084 0.0838
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0046 0.0089 0.0009
Schistosoma mansoni hypothetical protein 0.0049 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Schistosoma mansoni hypothetical protein 0.0185 0.0606 0.0606
Schistosoma mansoni alpha-glucosidase 0.0168 0.0542 0.0542
Brugia malayi nuclear receptor NHR-88 0.0032 0.0036 0.0303
Toxoplasma gondii pyruvate kinase PyK1 0.0068 0.017 0.8893
Echinococcus multilocularis protein patched 0.0089 0.0249 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0036 0.0303
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0125 0.0381 0.0381
Plasmodium falciparum phosphoglycerate mutase, putative 0.0046 0.0089 0.4484
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0036 0.0032
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.026 0.0406
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0036 0.0036
Mycobacterium tuberculosis Conserved protein 0.0046 0.0089 0.1846
Brugia malayi nuclear hormone receptor 0.0032 0.0036 0.0303
Loa Loa (eye worm) hypothetical protein 0.0106 0.0314 0.0279
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0089 0.4484
Brugia malayi CHE-14 protein 0.0089 0.0249 0.268
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0104 0.014
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0079 0.0097
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.026 0.0256
Schistosoma mansoni hypothetical protein 0.0076 0.02 0.02
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0046 0.0089 0.0089
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.026 0.0182
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0101 0.0101
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0046 0.0089 0.0009
Mycobacterium ulcerans hypothetical protein 0.1601 0.5868 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0084 0.0084
Leishmania major phosphoglycerate mutase, putative 0.0046 0.0089 0.0066
Toxoplasma gondii phosphoglycerate mutase family protein 0.0046 0.0089 0.3987
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0125 0.0381 0.0613
Echinococcus multilocularis pyruvate kinase 0.0035 0.0048 0.0048
Brugia malayi Glycosyl hydrolases family 31 protein 0.0195 0.0643 0.7062
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0079 0.0787
Loa Loa (eye worm) RNA binding protein 0.0134 0.0415 0.038
Echinococcus multilocularis pyruvate kinase 0.0053 0.0117 0.0117
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0104 0.5531
Brugia malayi Bromodomain containing protein 0.0073 0.019 0.2016
Loa Loa (eye worm) hypothetical protein 0.0156 0.0497 0.0463
Echinococcus multilocularis GPCR, family 2 0.0049 0.0101 0.0101
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.2714 1 1
Brugia malayi AMP-binding enzyme family protein 0.005 0.0104 0.1064
Echinococcus multilocularis protein dispatched 1 0.0102 0.0296 0.0296
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0036 0.0036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0084 0.0084
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0036 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0051 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0084 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0036 0.0303
Onchocerca volvulus 0.0032 0.0036 0.0032
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.0844 0.0811
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0036 0.0036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.0415 0.038
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0089 0.0106
Leishmania major phosphoglycerate mutase family member 5, putative 0.0046 0.0089 0.0066
Plasmodium falciparum pyruvate kinase 2 0.0035 0.0048 0.1705
Leishmania major hypothetical protein, conserved 0.0046 0.0089 0.0066
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 0.422 0.4174
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.0249 0.1905
Onchocerca volvulus Protein UBASH3A homolog 0.0046 0.0089 0.0085
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.026 0.0238
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0104 0.5531
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2668 0.983 0.9828
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.02 0.02
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0036 0.0036
Echinococcus granulosus pyruvate kinase 0.0068 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0046 0.0089 0.0053
Loa Loa (eye worm) hypothetical protein 0.0046 0.0089 0.0053
Echinococcus multilocularis pyruvate kinase 0.0035 0.0048 0.0048
Schistosoma mansoni phosphoglycerate mutase 0.0046 0.0089 0.0089
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0101 0.1034
Echinococcus granulosus pyruvate kinase 0.0035 0.0048 0.0048
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0104 0.014
Leishmania major hypothetical protein, conserved 0.0046 0.0089 0.0066
Echinococcus granulosus phosphoglycerate mutase 0.0046 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Echinococcus granulosus phosphoglycerate mutase 0.0046 0.0089 0.0089
Entamoeba histolytica pyruvate kinase, putative 0.0047 0.0094 0.0122
Plasmodium vivax SET domain protein, putative 0.0036 0.0051 0.1948
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 0.422 0.4174
Brugia malayi hypothetical protein 0.0076 0.02 0.2133
Onchocerca volvulus 0.0046 0.0089 0.0085
Schistosoma mansoni alpha glucosidase 0.0043 0.0079 0.0079
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.0415 0.4519
Brugia malayi Bromodomain containing protein 0.0037 0.0057 0.0539
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0415 0.0415
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0089 0.4484
Brugia malayi steroid hormone receptor 0.0032 0.0036 0.0303
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0036 0.0303
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0036 0.0036
Brugia malayi Pyruvate kinase, M2 isozyme 0.0068 0.017 0.1798
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.026 0.0225
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0036 0.0036
Trichomonas vaginalis glutaminase, putative 0.0266 0.0907 0.9272
Trichomonas vaginalis pyruvate kinase, putative 0.0068 0.017 0.1018
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0046 0.0089 0.0066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0101 0.0101
Mycobacterium ulcerans phosphoglyceromutase 0.0046 0.0089 0.0113
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0036 0.0036
Loa Loa (eye worm) pyruvate kinase 0.0068 0.017 0.0135
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0134 0.0134
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0046 0.0089 0.4484
Echinococcus multilocularis Niemann Pick C1 protein 0.0297 0.102 0.102
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0046 0.0089 0.0106
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0104 0.2278
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.026 0.026
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0046 0.0089 0.0009
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2714 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0079 0.0097
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.005 0.0757
Giardia lamblia Hypothetical protein 0.1601 0.5868 1
Schistosoma mansoni phosphoglycerate mutase 0.0046 0.0089 0.0089
Mycobacterium ulcerans hypothetical protein 0.0046 0.0089 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0066
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0134 0.0134
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0036 0.0036
Onchocerca volvulus Protein UBASH3A homolog 0.0046 0.0089 0.0085
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.02 0.02
Entamoeba histolytica hypothetical protein 0.0076 0.02 0.0304
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0046 0.0089 0.1846
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0046 0.0089 0.0009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0036 0.0036
Mycobacterium ulcerans hypothetical protein 0.0046 0.0089 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0104 0.0082
Trypanosoma brucei glycerolphosphate mutase, putative 0.0046 0.0089 0.0066
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Echinococcus granulosus sterol regulatory element binding protein 0.0089 0.0249 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Entamoeba histolytica hypothetical protein 0.0076 0.02 0.0304
Loa Loa (eye worm) glutaminase 2 0.0266 0.0907 0.0874
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0036 0.0036
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0036 0.0036
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0036 0.0036
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0048 0.0048
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0066
Loa Loa (eye worm) hypothetical protein 0.005 0.0104 0.0069
Loa Loa (eye worm) hypothetical protein 0.1556 0.5698 0.5683
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0036 0.0036
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0068 0.017 0.4118
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0089 0.0053
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0288 0.0288
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.026 0.2799
Onchocerca volvulus 0.0102 0.0296 0.0292
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0046 0.0089 0.0106
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0036 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0036 0.0303
Onchocerca volvulus Protein UBASH3A homolog 0.0046 0.0089 0.0085
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1709 0.6269 0.6269
Leishmania major hypothetical protein, unknown function 0.0046 0.0089 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0113 0.0113
Brugia malayi Pre-SET motif family protein 0.0036 0.0051 0.0475
Trypanosoma brucei phosphoglycerate mutase, putative 0.0046 0.0089 0.0066
Echinococcus multilocularis tar DNA binding protein 0.0134 0.0415 0.0415
Echinococcus granulosus GPCR family 2 0.0049 0.0101 0.0101
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2714 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0104 0.014
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0189 0.0189
Echinococcus granulosus lysosomal alpha glucosidase 0.0195 0.0643 0.0643
Onchocerca volvulus 0.005 0.0104 0.01
Plasmodium vivax pyruvate kinase, putative 0.0068 0.017 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 0.422 0.4207
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0101 0.1034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0036 0.0303
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0051 0.0051
Loa Loa (eye worm) pyruvate kinase 0.0068 0.017 0.0135
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0104 0.0082
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0125 0.0381 0.0359
Echinococcus granulosus Niemann Pick C1 protein 0.0297 0.102 0.102
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0036 0.0036
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2668 0.983 0.9828
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0036 0.0036
Onchocerca volvulus 0.0036 0.0051 0.0047
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0036 0.0032
Loa Loa (eye worm) hypothetical protein 0.01 0.0288 0.0253
Trichomonas vaginalis pyruvate kinase, putative 0.0068 0.017 0.1018
Loa Loa (eye worm) TAR-binding protein 0.0134 0.0415 0.038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0084 0.0084
Trypanosoma cruzi pyruvate kinase 2, putative 0.0068 0.017 0.0092
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Trypanosoma brucei pyruvate kinase 1, putative 0.0068 0.017 0.0148
Schistosoma mansoni 6-phosphofructokinase 0.2714 1 1
Schistosoma mansoni hypothetical protein 0.0086 0.0237 0.0237
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0113 0.0113
Plasmodium falciparum pyruvate kinase 0.0068 0.017 1
Onchocerca volvulus 0.0046 0.0089 0.0085
Echinococcus multilocularis pyruvate kinase 0.0068 0.017 0.017
Onchocerca volvulus Pyruvate kinase homolog 0.0068 0.017 0.0166
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0051 0.0051
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0.0089 0.1846
Schistosoma mansoni hypothetical protein 0.0086 0.0237 0.0237
Brugia malayi RNA binding protein 0.0134 0.0415 0.4519
Brugia malayi UBASH3A protein homolog 0.0046 0.0089 0.0892
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0125 0.0381 0.0381
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0125 0.0381 0.0613
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0046 0.0089 0.0089
Echinococcus multilocularis phosphoglycerate mutase 0.0046 0.0089 0.0089
Onchocerca volvulus 0.0284 0.0972 0.0968
Schistosoma mansoni hypothetical protein 0.0086 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.0089 0.0249 0.0214
Schistosoma mansoni glutaminase 0.0266 0.0907 0.0907
Loa Loa (eye worm) glutaminase 0.0266 0.0907 0.0874
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0089 0.0249 0.0214
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Loa Loa (eye worm) hypothetical protein 0.0049 0.0101 0.0066
Toxoplasma gondii pyruvate kinase PyKII 0.0035 0.0048 0.1516
Mycobacterium ulcerans hydrolase MutT1 0.0046 0.0089 0.0113
Plasmodium vivax phosphoglycerate mutase, putative 0.0046 0.0089 0.4484
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0125 0.0381 0.0381
Mycobacterium tuberculosis Conserved protein 0.0046 0.0089 0.1846
Toxoplasma gondii phosphoglycerate mutase family protein 0.0046 0.0089 0.3987
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0036 0.0303
Mycobacterium leprae probable isochorismate synthase EntC 0.0046 0.0089 0.4484
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0046 0.0089 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0084 0.0084
Echinococcus multilocularis sterol regulatory element binding protein 0.0089 0.0249 0.0249
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.0057 0.2352
Trichomonas vaginalis set domain proteins, putative 0.0284 0.0972 1
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0046 0.0089 0.1846
Echinococcus multilocularis pyruvate kinase 0.0035 0.0048 0.0048
Brugia malayi ecdysteroid receptor 0.0032 0.0036 0.0303
Echinococcus granulosus expressed conserved protein 0.0195 0.0643 0.0643
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0036 0.0303
Schistosoma mansoni pyruvate kinase 0.0035 0.0048 0.0048
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0104 0.014
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2714 1 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0047 0.0094 0.0058
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0046 0.0089 0.0066
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0102 0.0296 0.0262
Mycobacterium leprae Possible phosphoglycerate mutase 0.0046 0.0089 0.4484
Onchocerca volvulus 0.0113 0.0338 0.0334
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0288 0.3113
Brugia malayi phosphoglycerate mutase family protein 0.0046 0.0089 0.0892
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0208 0.0689 0.1141
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0043 0.0079 0.342
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0069 0.0174 0.0139
Plasmodium vivax pyruvate kinase 2, putative 0.0035 0.0048 0.1705
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0046 0.0089 0.0106
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Loa Loa (eye worm) hypothetical protein 0.0109 0.0324 0.0289
Brugia malayi AMP-binding enzyme family protein 0.005 0.0104 0.1064
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0036 0.0036
Mycobacterium ulcerans lipoprotein LpqD 0.0046 0.0089 0.0113
Echinococcus granulosus Niemann Pick C1 protein 0.0208 0.0689 0.0689
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 0.0284
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0009
Leishmania major alpha glucosidase II subunit, putative 0.0043 0.0079 0.0057
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0066
Onchocerca volvulus 0.01 0.0288 0.0284
Brugia malayi glutaminase DH11.1 0.0266 0.0907 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0101 0.0101
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.005 0.0757
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0036 0.0303
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.0057 0.0969
Leishmania major pyruvate kinase 0.0068 0.017 0.0148
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0046 0.0089 0.4484
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0046 0.0089 0.4484
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0046 0.0089 0.3987
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0415 0.0415
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0036 0.0303
Mycobacterium leprae Probable pyruvate kinase PykA 0.0068 0.017 1
Chlamydia trachomatis pyruvate kinase 0.0068 0.017 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.004 0.0066 0.003
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0125 0.0381 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.0057 0.2352
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0104 0.014
Loa Loa (eye worm) pyruvate kinase 0.0068 0.017 0.0135
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0296 0.0296
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.005 0.0757
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0036 0.0303
Onchocerca volvulus 0.0046 0.0089 0.0085
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.0079 0.0079
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0189 0.4631
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0009
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.0079 0.0044
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.026 0.0182
Onchocerca volvulus Pyruvate kinase homolog 0.0068 0.017 0.0166
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0036 0.0036
Giardia lamblia Hypothetical protein 0.1601 0.5868 1
Entamoeba histolytica hypothetical protein 0.0076 0.02 0.0304
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0104 0.014
Echinococcus multilocularis lysosomal alpha glucosidase 0.0195 0.0643 0.0643
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 0.0284
Brugia malayi Pyruvate kinase, muscle isozyme 0.0068 0.017 0.1798
Onchocerca volvulus Protein UBASH3A homolog 0.0046 0.0089 0.0085
Brugia malayi phosphoglycerate mutase family protein 0.0046 0.0089 0.0892
Schistosoma mansoni hypothetical protein 0.0185 0.0606 0.0606
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0036 0.0036
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1158 0.422 0.4207
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0036 0.0032
Onchocerca volvulus 0.2714 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0022
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.0057 0.0059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.0497 0.5436
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0104 0.014
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0046 0.0046
Schistosoma mansoni bromodomain containing protein 0.0062 0.0147 0.0147
Brugia malayi TAR-binding protein 0.0134 0.0415 0.4519
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2668 0.983 0.9829
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0116 0.035 0.0315
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0046 0.0089 0.0106
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0046 0.0089 0.0009
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0051 0.1732
Schistosoma mansoni pyruvate kinase 0.0068 0.017 0.017
Echinococcus granulosus geminin 0.0185 0.0606 0.0606
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0101 0.0066
Schistosoma mansoni hypothetical protein 0.0046 0.0089 0.0089
Loa Loa (eye worm) phosphoglycerate mutase 0.0046 0.0089 0.0053
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0046 0.0089 0.4484
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.026 0.2025
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0195 0.0643 0.0609
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0104 0.014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0036 0.0036
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0046 0.0089 0.0113
Leishmania major pyruvate kinase 0.0068 0.017 0.0148
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0046 0.0089 0.0009
Echinococcus multilocularis tumor protein p63 0.0695 0.2501 0.2501
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0046 0.0089 0.0106

Activities

Activity type Activity value Assay description Source Reference
Drug metabolism (ADMET) = 49.6 % Drug metabolism in 80% Homo sapiens (human) serum assessed as esterase-mediated imdomethacin release at 5 mg/ml at 2 hr ChEMBL. No reference
Inhibition (functional) = 39.89 % Analgesic activity in Mus musculus (mouse) assessed as inhibition of acetic acid-induced writhing at 15 mg/kg, po administered 1 hr prior to acetic acid challenge measured at 5 to 20 min relative to control ChEMBL. No reference

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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