Detailed information for compound 1345856

Basic information

Technical information
  • TDR Targets ID: 1345856
  • Name: 2-[2-(4-ethoxyphenyl)-6,8-dimethyl-5,7-dioxop yrimido[6,5-d]pyrimidin-4-yl]sulfanyl-N,N-dim ethyl-3-oxobutanamide
  • MW: 471.529 | Formula: C22H25N5O5S
  • H donors: 0 H acceptors: 6 LogP: 1.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)c1nc(SC(C(=O)N(C)C)C(=O)C)c2c(n1)n(C)c(=O)n(c2=O)C
  • InChi: 1S/C22H25N5O5S/c1-7-32-14-10-8-13(9-11-14)17-23-18-15(20(29)27(6)22(31)26(18)5)19(24-17)33-16(12(2)28)21(30)25(3)4/h8-11,16H,7H2,1-6H3
  • InChiKey: PAOXMTZBNNARKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-ethoxyphenyl)-6,8-dimethyl-5,7-dioxo-pyrimido[6,5-d]pyrimidin-4-yl]sulfanyl-N,N-dimethyl-3-oxo-butanamide
  • 2-[[2-(4-ethoxyphenyl)-6,8-dimethyl-5,7-dioxo-4-pyrimido[6,5-d]pyrimidinyl]thio]-N,N-dimethyl-3-oxobutanamide
  • 2-[[2-(4-ethoxyphenyl)-5,7-diketo-6,8-dimethyl-pyrimido[6,5-d]pyrimidin-4-yl]thio]-3-keto-N,N-dimethyl-butyramide
  • NCGC00134211-01
  • G786-1852

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Giardia lamblia Kinase, PLK 0.0091 0.0648 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0126 0.0956 0.3913
Loa Loa (eye worm) hypothetical protein 0.0043 0.0216 0.0202
Trypanosoma brucei DNA topoisomerase IA, putative 0.0039 0.0181 0.0693
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0023 0.0037 0.0022
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0236 0.0852
Plasmodium falciparum ataxin-2 like protein, putative 0.0291 0.242 1
Onchocerca volvulus 0.0023 0.0037 0.0091
Brugia malayi hypothetical protein 0.0295 0.2461 0.245
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0154 0.0307
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.0648 0.0895
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0023 0.0037 0.0022
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0023 0.0037 0.0031
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.022 0.0956
Brugia malayi Latrophilin receptor protein 2 0.0208 0.1687 0.1675
Onchocerca volvulus 0.0043 0.022 0.0841
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0126 0.0956 0.2067
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.022 0.0956
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0023 0.0037 0.0022
Echinococcus granulosus Smad4 0.0078 0.0526 0.1123
Brugia malayi TAR-binding protein 0.0403 0.3419 0.3409
Brugia malayi Pre-SET motif family protein 0.0251 0.2071 0.2059
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0023 0.0037 0.0049
Schistosoma mansoni Smad4 0.0035 0.0143 0.0282
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0956 0.3913
Brugia malayi Pre-SET motif family protein 0.0036 0.0154 0.014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0658 0.5693 0.5687
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0023 0.0037 0.0022
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0956 0.3913
Trypanosoma brucei PAB1-binding protein , putative 0.0291 0.242 1
Schistosoma mansoni hypothetical protein 0.0208 0.1687 0.3673
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.0648 0.2587
Entamoeba histolytica G protein alpha subunit, putative 0.0023 0.0037 0.035
Leishmania major DNA topoisomerase 1A 0.0039 0.0181 0.0693
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0208 0.1687 0.2366
Toxoplasma gondii isocitrate dehydrogenase 0.0126 0.0956 0.3538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0532 0.4569 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.022 0.0855
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0023 0.0037 0.0022
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0126 0.0956 0.346
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.022 0.0784
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0154 0.0307
Brugia malayi N-terminal motif family protein 0.0213 0.1728 0.1716
Trypanosoma cruzi DNA topoisomerase III, putative 0.0039 0.0181 0.0693
Schistosoma mansoni GTP-binding protein alpha subunit 0.0023 0.0037 0.0049
Schistosoma mansoni smad 0.0078 0.0526 0.1123
Onchocerca volvulus 0.0286 0.238 0.9667
Loa Loa (eye worm) nuclear factor I 0.0043 0.0216 0.0202
Loa Loa (eye worm) hypothetical protein 0.0023 0.0037 0.0022
Brugia malayi RNA binding protein 0.0403 0.3419 0.3409
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Toxoplasma gondii DNA topoisomerase family protein 0.0039 0.0181 0.0119
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0126 0.0956 0.4146
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0023 0.0037 0.0049
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0023 0.0037 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.022 0.0784
Brugia malayi MH1 domain containing protein 0.0078 0.0526 0.0512
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.0648 0.0634
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0532 0.4569 0.6443
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.022 0.0956
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0039 0.0181 0.0617
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0023 0.0037 0.0049
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2071 0.2059
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.022 0.0956
Loa Loa (eye worm) hypothetical protein 0.0208 0.1687 0.1675
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0023 0.0037 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0403 0.3419 0.7475
Brugia malayi Calcitonin receptor-like protein seb-1 0.0658 0.5693 0.5687
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0023 0.0037 0.0031
Loa Loa (eye worm) transcription factor SMAD2 0.1142 1 1
Echinococcus multilocularis rho GTPase activating protein 20 0.0039 0.0181 0.0236
Onchocerca volvulus 0.0023 0.0037 0.0091
Echinococcus multilocularis mothers against decapentaplegic 5 0.0078 0.0526 0.0723
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0023 0.0037 0.0049
Loa Loa (eye worm) hypothetical protein 0.045 0.3839 0.383
Brugia malayi MH2 domain containing protein 0.0078 0.0526 0.0512
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.0648 0.0634
Toxoplasma gondii ABC1 family protein 0.0043 0.022 0.0292
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0023 0.0037 0.0022
Schistosoma mansoni kinase 0.0046 0.0247 0.0511
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0023 0.0037 0.0049
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0154 0.0198
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0023 0.0037 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0403 0.3419 0.7475
Schistosoma mansoni smad1 5 8 and 0.0078 0.0526 0.1123
Brugia malayi Smad1 0.0078 0.0526 0.0512
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.022 0.0956
Loa Loa (eye worm) TAR-binding protein 0.0403 0.3419 0.3409
Schistosoma mansoni smad1 5 8 and 0.0078 0.0526 0.1123
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0126 0.0956 0.3538
Echinococcus granulosus GPCR family 2 0.0208 0.1687 0.3673
Onchocerca volvulus 0.0023 0.0037 0.0091
Trypanosoma brucei polo-like protein kinase 0.0091 0.0648 0.2631
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.022 0.0784
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0079 0.0535 0.5
Loa Loa (eye worm) hypothetical protein 0.0295 0.2461 0.245
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.022 0.0452
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0035 0.0143 0.0525
Loa Loa (eye worm) hypothetical protein 0.0023 0.0037 0.0022
Echinococcus multilocularis tar DNA binding protein 0.0403 0.3419 0.4816
Mycobacterium leprae Probable lipase LipE 0.0043 0.022 1
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0023 0.0037 0.0022
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.022 0.0452
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0815 0.7084 1
Brugia malayi MH2 domain containing protein 0.0078 0.0526 0.0512
Onchocerca volvulus 0.0043 0.022 0.0841
Brugia malayi beta-lactamase 0.0043 0.022 0.0206
Brugia malayi hypothetical protein 0.0188 0.1504 0.1491
Leishmania major hypothetical protein, conserved 0.0043 0.022 0.0855
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.022 0.0855
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.022 0.0452
Trichomonas vaginalis esterase, putative 0.0043 0.022 0.0784
Brugia malayi beta-lactamase family protein 0.0043 0.022 0.0206
Echinococcus multilocularis GPCR, family 2 0.0208 0.1687 0.2366
Loa Loa (eye worm) G protein alpha subunit 3 0.0023 0.0037 0.0022
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0126 0.0956 0.2067
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0126 0.0956 0.1332
Loa Loa (eye worm) Smad1 0.0078 0.0526 0.0512
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0023 0.0037 0.0049
Schistosoma mansoni smad1 5 8 and 0.0078 0.0526 0.1123
Echinococcus multilocularis Smad4 0.0078 0.0526 0.0723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0403 0.3419 0.3409
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0154 0.0198
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0648 0.139
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0023 0.0037 0.0049
Trypanosoma cruzi PAB1-binding protein , putative 0.0291 0.242 1
Onchocerca volvulus 0.0295 0.2461 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0078 0.0526 0.0512
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0023 0.0037 0.0031
Echinococcus multilocularis isocitrate dehydrogenase 0.0126 0.0956 0.1332
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.022 0.0784
Mycobacterium ulcerans lipase LipD 0.0043 0.022 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0023 0.0037 0.0049
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.0648 1
Treponema pallidum DNA topoisomerase I (topA) 0.0079 0.0535 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0023 0.0037 0.0049
Onchocerca volvulus 0.0043 0.022 0.0841
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0532 0.4569 0.4561
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0213 0.1728 0.7001
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0039 0.0181 0.0617
Toxoplasma gondii isocitrate dehydrogenase 0.0126 0.0956 0.3538
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0143 0.0129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0658 0.5693 0.5687
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0236 0.0852
Plasmodium vivax hypothetical protein, conserved 0.0043 0.022 0.0292
Echinococcus multilocularis mothers against decapentaplegic 2 0.0035 0.0143 0.0182
Echinococcus granulosus tar DNA binding protein 0.0403 0.3419 0.7475
Loa Loa (eye worm) beta-lactamase 0.0043 0.022 0.0206
Brugia malayi RNA recognition motif domain containing protein 0.0403 0.3419 0.3409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0532 0.4569 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.022 1
Toxoplasma gondii SWI2/SNF2-containing protein 0.004 0.0187 0.0145
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0956 0.1332
Schistosoma mansoni hypothetical protein 0.0208 0.1687 0.3673
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.022 0.0291
Loa Loa (eye worm) hypothetical protein 0.0213 0.1728 0.1716
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0956 0.1332
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0023 0.0037 0.0022
Echinococcus granulosus TGF beta signal transducer SmadC 0.0078 0.0526 0.1123
Brugia malayi hypothetical protein 0.0023 0.0037 0.0022
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0079 0.0535 0.1143
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0126 0.0956 0.3913
Schistosoma mansoni GTP-binding protein alpha subunit 0.0023 0.0037 0.0049
Onchocerca volvulus 0.0036 0.0154 0.0571
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0648 0.2631
Echinococcus granulosus smad 0.0078 0.0526 0.1123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0154 0.0307
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0648 0.2631
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.006 0.0368 0.0945
Mycobacterium tuberculosis Conserved protein 0.0043 0.022 0.0956
Mycobacterium tuberculosis Conserved protein 0.0043 0.022 0.0956
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0023 0.0037 0.0049
Brugia malayi MH1 domain containing protein 0.0043 0.0216 0.0202
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.022 0.0956
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.022 0.0855
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.0648 0.139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0532 0.4569 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0039 0.0181 0.2632
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0023 0.0037 0.0049
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0023 0.0037 0.0022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0532 0.4569 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0291 0.242 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0208 0.1687 0.1675
Echinococcus multilocularis mothers against decapentaplegic 6 0.0035 0.0143 0.0182
Plasmodium falciparum ataxin-2 like protein, putative 0.0291 0.242 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Loa Loa (eye worm) isocitrate dehydrogenase 0.0126 0.0956 0.0943
Echinococcus granulosus mothers against decapentaplegic 6 0.0035 0.0143 0.0282
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0023 0.0037 0.0031
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.013 0.0994 0.215
Toxoplasma gondii LsmAD domain-containing protein 0.0291 0.242 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Schistosoma mansoni tar DNA-binding protein 0.0403 0.3419 0.7475
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0078 0.0526 0.1123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0532 0.4569 0.6443
Trypanosoma cruzi DNA topoisomerase III, putative 0.0039 0.0181 0.0693
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0078 0.0526 0.0723
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.022 1
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0023 0.0037 0.0022
Loa Loa (eye worm) hypothetical protein 0.0023 0.0037 0.0022
Brugia malayi mothers against decapentaplegic homolog 3 0.0035 0.0143 0.0129
Loa Loa (eye worm) DNA topoisomerase III 0.0039 0.0181 0.0167
Schistosoma mansoni tar DNA-binding protein 0.0403 0.3419 0.7475
Schistosoma mansoni Smad4 0.0035 0.0143 0.0282
Schistosoma mansoni hypothetical protein 0.045 0.3839 0.8396
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0023 0.0037 0.0049
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0126 0.0956 0.1332
Mycobacterium leprae conserved hypothetical protein 0.0043 0.022 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.022 0.0784
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0039 0.0181 0.0693
Trichomonas vaginalis set domain proteins, putative 0.0286 0.238 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0208 0.1687 0.2366
Loa Loa (eye worm) MH2 domain-containing protein 0.1142 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0154 0.0307
Schistosoma mansoni hypothetical protein 0.0208 0.1687 0.3673
Brugia malayi isocitrate dehydrogenase 0.0126 0.0956 0.0943
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0039 0.0181 0.0693
Echinococcus granulosus mothers against decapentaplegic 5 0.0078 0.0526 0.1123
Brugia malayi hypothetical protein 0.0291 0.242 0.2409
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0142 0.0281
Echinococcus multilocularis smad 0.0078 0.0526 0.0723
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2306 1
Schistosoma mansoni smad 0.0035 0.0143 0.0282
Leishmania major DNA topoisomerase III, putative 0.0079 0.0535 0.2164
Loa Loa (eye worm) hypothetical protein 0.0023 0.0037 0.0022
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.022 1
Brugia malayi MH1 domain containing protein 0.0043 0.0216 0.0202
Plasmodium vivax ataxin-2 like protein, putative 0.0291 0.242 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0143 0.0129
Schistosoma mansoni Smad4 0.0078 0.0526 0.1123
Loa Loa (eye worm) MH2 domain-containing protein 0.0078 0.0526 0.0512
Echinococcus multilocularis expressed protein 0.0023 0.0037 0.0031
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0208 0.1687 0.3673
Giardia lamblia DNA topoisomerase III 0.0039 0.0181 0.2632
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0129
Chlamydia trachomatis DNA topoisomerase I 0.0079 0.0535 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.022 0.0956
Brugia malayi DNA topoisomerase III 0.0039 0.0181 0.0167
Schistosoma mansoni hypothetical protein 0.013 0.0994 0.215
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0126 0.0956 0.3913
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Echinococcus granulosus mothers against decapentaplegic 2 0.0035 0.0143 0.0282
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.0648 0.2631
Loa Loa (eye worm) latrophilin receptor protein 2 0.0208 0.1687 0.1675
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.013 0.0994 0.1385
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0023 0.0037 0.0049
Loa Loa (eye worm) hypothetical protein 0.0291 0.242 0.2409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0532 0.4569 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.022 0.0206
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0023 0.0037 0.0049
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0023 0.0037 0.0049
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0023 0.0037 0.0022
Schistosoma mansoni hypothetical protein 0.0208 0.1687 0.3673
Mycobacterium ulcerans hypothetical protein 0.0043 0.022 1
Brugia malayi MH1 domain containing protein 0.0078 0.0526 0.0512
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0039 0.0181 0.0366
Brugia malayi latrophilin 2 splice variant baaae 0.045 0.3839 0.383
Loa Loa (eye worm) hypothetical protein 0.0658 0.5693 0.5687
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0532 0.4569 0.4561
Plasmodium vivax DNA topoisomerase 3, putative 0.0039 0.0181 0.0119
Leishmania major hypothetical protein, conserved 0.0291 0.242 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0154 0.014
Brugia malayi beta-lactamase family protein 0.0043 0.022 0.0206
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.022 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0403 0.3419 0.7475
Brugia malayi G-protein alpha subunit 0.0023 0.0037 0.0022
Loa Loa (eye worm) hypothetical protein 0.0023 0.0037 0.0022
Echinococcus granulosus expressed protein 0.0023 0.0037 0.0049
Loa Loa (eye worm) hypothetical protein 0.0043 0.022 0.0206
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.022 0.0956
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0154 0.0307
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0208 0.1687 0.3673
Brugia malayi Isocitrate dehydrogenase 0.0126 0.0956 0.0943
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0023 0.0037 0.0022
Loa Loa (eye worm) RNA binding protein 0.0403 0.3419 0.3409
Trypanosoma brucei DNA topoisomerase III, putative 0.0039 0.0181 0.0693
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0648 0.2607
Brugia malayi MH2 domain containing protein 0.0035 0.0143 0.0129

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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