Detailed information for compound 1549527

Basic information

Technical information
  • TDR Targets ID: 1549527
  • Name: ethyl 6-oxo-1-phenyl-2-sulfanylidene-3H-pyrim idine-5-carboxylate
  • MW: 276.311 | Formula: C13H12N2O3S
  • H donors: 1 H acceptors: 2 LogP: 1.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c[nH]c(=S)n(c1=O)c1ccccc1
  • InChi: 1S/C13H12N2O3S/c1-2-18-12(17)10-8-14-13(19)15(11(10)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,19)
  • InChiKey: IJSLDQROXVRCQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 6-oxo-1-phenyl-2-thioxo-3H-pyrimidine-5-carboxylate
  • 6-oxo-1-phenyl-2-thioxo-3H-pyrimidine-5-carboxylic acid ethyl ester
  • 6-keto-1-phenyl-2-thioxo-3H-pyrimidine-5-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0045 0.0194
Echinococcus granulosus GPCR family 2 0.0019 0.0035 0.0009
Echinococcus granulosus chromobox protein 1 0.007 0.0411 0.0386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0955 0.0931
Echinococcus granulosus RUN 0.0229 0.1586 0.1564
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0275 0.1325
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0124 0.0098
Mycobacterium ulcerans glutaminase 0.0317 0.2233 1
Loa Loa (eye worm) hypothetical protein 0.028 0.196 0.8459
Brugia malayi Augmenter of liver regeneration 0.0067 0.0394 0.1763
Schistosoma mansoni hypothetical protein 0.004 0.0194 0.0169
Schistosoma mansoni intermediate filament proteins 0.0026 0.0089 0.0063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0332 0.1433
Mycobacterium ulcerans beta-lactamase 0.0043 0.0211 0.0839
Plasmodium vivax perforin-like protein 3 0.0127 0.0835 0.513
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0067 0.0394 0.0369
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0211 0.0839
Trichomonas vaginalis protein kinase inhibitor, putative 0.0071 0.0421 0.1787
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0211 0.0839
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0077 0.0206
Loa Loa (eye worm) hypothetical protein 0.0078 0.0473 0.2043
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0124 0.226
Echinococcus multilocularis dnaJ subfamily C 6 0.0071 0.0421 0.0396
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.0839
Onchocerca volvulus 0.0043 0.0211 0.0814
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0009
Toxoplasma gondii Erv1 / Alr family protein 0.0067 0.0394 0.4414
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.0276
Schistosoma mansoni hypothetical protein 0.0229 0.1586 0.1564
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0242 0.0977
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0544
Plasmodium vivax perforin-like protein 1 0.0127 0.0835 0.513
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0211 0.4765
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.0839
Echinococcus multilocularis chromobox protein 1 0.007 0.0411 0.0386
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0473 0.2027
Plasmodium falciparum perforin-like protein 2 0.0127 0.0835 0.513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0009
Schistosoma mansoni lamin 0.0026 0.0089 0.0063
Brugia malayi Heterochromatin protein 1 0.007 0.0411 0.1838
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0124 0.0997
Loa Loa (eye worm) doublecortin family protein 0.0229 0.1586 0.6844
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0124 0.226
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0159 0.1069 0.1045
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0185 0.072
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0473 0.0449
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0081 0.0249
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0127 0.0835 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0211 0.0186
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0067 0.0394 1
Brugia malayi acetyltransferase, GNAT family protein 0.0159 0.1069 0.4785
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0096 0.0329
Plasmodium vivax perforin-like protein 2 0.0127 0.0835 0.513
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.0955 0.4274
Plasmodium vivax perforin-like protein 4 0.0127 0.0835 0.513
Echinococcus multilocularis lamin 0.0026 0.0089 0.0063
Leishmania major hypothetical protein, conserved 0.0043 0.0211 0.4765
Leishmania major GTP-binding protein, putative 0.0023 0.0064 0.0544
Trichomonas vaginalis ran, putative 0.0023 0.0064 0.0172
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0211 0.4765
Schistosoma mansoni chromobox protein 0.007 0.0411 0.0386
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0411 0.1772
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0211 0.0986
Echinococcus multilocularis GPCR, family 2 0.0019 0.0035 0.0009
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0089 0.04
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0045 0.0086
Brugia malayi Probable ClpP-like protease 0.0078 0.0473 0.212
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0081 0.1031
Schistosoma mansoni lipoxygenase 0.1369 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0211 0.0186
Echinococcus granulosus lipoxygenase domain containing protein 0.0229 0.1586 0.1564
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0473 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0332 0.1486
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0101 0.0339
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.1036 0.1012
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0172 0.0147
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0207 0.0785
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Loa Loa (eye worm) hypothetical protein 0.0019 0.0035 0.0149
Brugia malayi hypothetical protein 0.0229 0.1586 0.7101
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0067 0.0394 0.2264
Brugia malayi hypothetical protein 0.0229 0.1586 0.7101
Plasmodium vivax importin-beta 2, putative 0.0031 0.0124 0.0512
Chlamydia trachomatis hypothetical protein 0.0127 0.0835 1
Onchocerca volvulus 0.0229 0.1586 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.0081 0.1031
Brugia malayi Importin beta-1 subunit 0.0031 0.0124 0.0554
Entamoeba histolytica Ran family GTPase 0.0023 0.0064 0.113
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0544
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0961 0.4146
Schistosoma mansoni polycystin 1-related 0.0229 0.1586 0.1564
Echinococcus granulosus lamin 0.0026 0.0089 0.0063
Brugia malayi MH2 domain containing protein 0.0144 0.0961 0.4302
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0986
Mycobacterium leprae Probable lipase LipE 0.0043 0.0211 0.4138
Schistosoma mansoni hypothetical protein 0.0071 0.0421 0.0396
Echinococcus granulosus intermediate filament protein 0.0026 0.0089 0.0063
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0064 0.0038
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0211 0.0986
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0911 0.6617 0.6608
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.0123
Echinococcus granulosus dnaJ subfamily C 6 0.0071 0.0421 0.0396
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0211 0.0986
Loa Loa (eye worm) hypothetical protein 0.0039 0.0185 0.0798
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0242 0.0216
Plasmodium vivax multidomain scavenger receptor, putative 0.0229 0.1586 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0318 0.1423
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0009
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0211 0.0986
Echinococcus multilocularis Polycystic kidney disease protein 0.0229 0.1586 0.1564
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0544
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0101 0.0339
Schistosoma mansoni hypothetical protein 0.115 0.8384 0.838
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0242 0.2488
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0081 0.0249
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0035 0.0155
Echinococcus multilocularis lipoxygenase domain containing protein 0.0229 0.1586 0.1564
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0077 0.0206
Loa Loa (eye worm) glutaminase 0.0317 0.2233 0.9638
Echinococcus granulosus survival motor neuron protein 1 0.028 0.196 0.1939
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0077 0.0402
Echinococcus multilocularis macrophage expressed protein 0.115 0.8384 0.838
Schistosoma mansoni hypothetical protein 0.0328 0.2317 0.2297
Echinococcus granulosus geminin 0.0366 0.2597 0.2578
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0473 0.5422
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0473 0.2781
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0035 0.0155
Onchocerca volvulus 0.0031 0.0123 0.0224
Brugia malayi hypothetical protein 0.028 0.196 0.8777
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0045 0.0422
Entamoeba histolytica hypothetical protein 0.0037 0.0172 0.7581
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0009
Onchocerca volvulus 0.0043 0.0211 0.0814
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Schistosoma mansoni rab6-interacting 0.0229 0.1586 0.1564
Plasmodium falciparum importin beta, putative 0.0031 0.0124 0.0512
Brugia malayi hypothetical protein 0.0037 0.0172 0.0771
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0211 0.0839
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0332 0.1486
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.0955 0.0931
Loa Loa (eye worm) hypothetical protein 0.0026 0.0089 0.0385
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0961 0.4146
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0473 0.0449
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0473 0.0449
Mycobacterium ulcerans hypothetical protein 0.0043 0.0211 0.0839
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0211 0.0911
Schistosoma mansoni ran 0.0023 0.0064 0.0038
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0272 0.1904 1
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0009
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.1369 1 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0089 0.0385
Loa Loa (eye worm) hypothetical protein 0.0026 0.0086 0.037
Entamoeba histolytica hypothetical protein 0.0025 0.0081 0.2141
Entamoeba histolytica hypothetical protein 0.0037 0.0172 0.7581
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.113
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0045 0.0019
Schistosoma mansoni ran 0.0023 0.0064 0.0038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.0955 0.0931
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0009
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0172 0.0147
Onchocerca volvulus 0.0229 0.1586 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0213 0.109
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0009
Echinococcus granulosus lipoxygenase domain containing protein 0.0229 0.1586 0.1564
Schistosoma mansoni hypothetical protein 0.0366 0.2597 0.2578
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0096 0.1556
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0089 0.0385
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0207 0.0819
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0045 0.0422
Loa Loa (eye worm) DnaJ domain-containing protein 0.0071 0.0421 0.1815
Echinococcus multilocularis geminin 0.0366 0.2597 0.2578
Entamoeba histolytica hypothetical protein 0.0037 0.0172 0.7581
Brugia malayi beta-lactamase 0.0043 0.0211 0.0945
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0473 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0067 0.0394 0.17
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0096 0.1556
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0211 0.0945
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0185 0.072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0172 0.0147
Schistosoma mansoni lipoxygenase 0.0957 0.696 0.6952
Plasmodium falciparum perforin-like protein 3 0.0127 0.0835 0.513
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0067 0.0394 1
Plasmodium falciparum perforin-like protein 5 0.0127 0.0835 0.513
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0035 0.0149
Loa Loa (eye worm) hypothetical protein 0.0059 0.0332 0.1433
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0986
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0211 0.0839
Mycobacterium ulcerans lipase LipD 0.0043 0.0211 0.0839
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0213 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0064 0.0038
Brugia malayi DnaJ domain containing protein 0.0071 0.0421 0.1883
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0081 0.0249
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0045 0.0086
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0211 0.1079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0955 0.0931
Brugia malayi intermediate filament protein 0.0026 0.0089 0.04
Echinococcus granulosus chromobox protein 1 0.007 0.0411 0.0386
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0194 0.087
Brugia malayi Doublecortin family protein 0.0229 0.1586 0.7101
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0213 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0077 0.0331
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0275 0.025
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0077 0.0206
Schistosoma mansoni ap endonuclease 0.002 0.0045 0.0019
Echinococcus multilocularis lipoxygenase domain containing protein 0.0229 0.1586 0.1564
Toxoplasma gondii ABC1 family protein 0.0043 0.0211 0.2103
Schistosoma mansoni survival motor neuron protein 0.0057 0.0318 0.0293
Brugia malayi beta-lactamase family protein 0.0043 0.0211 0.0945
Echinococcus granulosus macrophage expressed protein 0.115 0.8384 0.838
Loa Loa (eye worm) hypothetical protein 0.004 0.0194 0.0839
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0064 0.0123
Loa Loa (eye worm) acetyltransferase 0.0159 0.1069 0.4612
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0275 0.5562
Schistosoma mansoni hypothetical protein 0.0037 0.0172 0.0147
Toxoplasma gondii perforin-like protein PLP1 0.0127 0.0835 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0411 0.0386
Brugia malayi chromobox protein homolog 3 0.0039 0.0185 0.0828
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0211 0.0186
Echinococcus multilocularis RUN 0.0229 0.1586 0.1564
Trichomonas vaginalis glutaminase, putative 0.0317 0.2233 1
Trichomonas vaginalis esterase, putative 0.0043 0.0211 0.0839
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0211 0.0839
Plasmodium falciparum LCCL domain-containing protein 0.0229 0.1586 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0067 0.0394 1
Plasmodium falciparum perforin-like protein 4 0.0127 0.0835 0.513
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0473 0.5422
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0159 0.1069 0.1045
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0207 0.0819
Toxoplasma gondii Erv1 / Alr family protein 0.0067 0.0394 0.4414
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0211 0.0986
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0045 0.0086
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0067 0.0394 1
Echinococcus granulosus snurportin 1 0.0328 0.2317 0.2297
Trichomonas vaginalis chromobox protein, putative 0.007 0.0411 0.1742
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0275 0.1325
Schistosoma mansoni hypothetical protein 0.0366 0.2597 0.2578
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0242 0.0977
Leishmania major hypothetical protein, conserved 0.0067 0.0394 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.0955 0.4119
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0045 0.0201
Echinococcus multilocularis musashi 0.0026 0.0089 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.0955 0.0931
Loa Loa (eye worm) beta-lactamase 0.0043 0.0211 0.0911
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Brugia malayi hypothetical protein 0.0024 0.0077 0.0343
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0211 0.4765
Brugia malayi hypothetical protein 0.0016 0.0013 0.0058
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0211 0.4138
Echinococcus multilocularis snurportin 1 0.0328 0.2317 0.2297
Echinococcus granulosus Polycystic kidney disease protein 0.0229 0.1586 0.1564
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0275 0.025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0009
Echinococcus granulosus importin subunit beta 1 0.0031 0.0124 0.0098
Loa Loa (eye worm) hypothetical protein 0.0229 0.1586 0.6844
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0096 0.0329
Brugia malayi RNA, U transporter 1 0.0087 0.0542 0.2425
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0077 0.0912
Entamoeba histolytica hypothetical protein 0.0037 0.0172 0.7581
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0473 0.2027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.0955 0.0931
Toxoplasma gondii hypothetical protein 0.0027 0.0096 0.0642
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0067 0.0394 0.0369
Schistosoma mansoni glutaminase 0.0317 0.2233 0.2213
Mycobacterium tuberculosis Conserved protein 0.0043 0.0211 0.0986
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0211 0.0186
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0534
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0064 0.024
Loa Loa (eye worm) hypothetical protein 0.0031 0.0123 0.053
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0067 0.0394 0.2264
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0045 0.0101
Brugia malayi beta-lactamase family protein 0.0043 0.0211 0.0945
Echinococcus granulosus lamin dm0 0.0026 0.0089 0.0063
Brugia malayi glutaminase DH11.1 0.0317 0.2233 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0211 0.0986
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0328 0.2317 1
Schistosoma mansoni hypothetical protein 0.0057 0.0318 0.0293
Echinococcus multilocularis lamin dm0 0.0026 0.0089 0.0063
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0473 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0242 0.1276
Schistosoma mansoni importin beta-1 0.0031 0.0124 0.0098
Onchocerca volvulus 0.0043 0.0211 0.0814
Schistosoma mansoni chromobox protein 0.007 0.0411 0.0386
Schistosoma mansoni ap endonuclease 0.002 0.0045 0.0019
Onchocerca volvulus 0.0057 0.0318 0.1527
Echinococcus multilocularis survival motor neuron protein 1 0.028 0.196 0.1939
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.0286
Schistosoma mansoni rab6-interacting 0.0229 0.1586 0.1564
Loa Loa (eye worm) hypothetical protein 0.0229 0.1586 0.6844
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0211 0.0986
Plasmodium vivax perforin-like protein 5 0.0127 0.0835 0.513
Leishmania major hypothetical protein, conserved 0.0024 0.0077 0.0912
Plasmodium falciparum perforin-like protein 1 0.0127 0.0835 0.513
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0045 0.0019
Schistosoma mansoni loxhd1 0.0229 0.1586 0.1564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.0955 0.0931
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0077 0.0912
Schistosoma mansoni lamin 0.0026 0.0089 0.0063
Loa Loa (eye worm) hypothetical protein 0.0043 0.0211 0.0911
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0185 0.0639
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0473 0.2781
Trichomonas vaginalis chromobox protein, putative 0.007 0.0411 0.1742
Loa Loa (eye worm) glutaminase 2 0.0317 0.2233 0.9638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0242 0.2488
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0077 0.0912

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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