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

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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