Detailed information for compound 313011

Basic information

Technical information
  • TDR Targets ID: 313011
  • Name: 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo -2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-h ydroxy-5-nitrophenyl)acetamide
  • MW: 449.888 | Formula: C18H12ClN3O5S2
  • H donors: 2 H acceptors: 5 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(ccc1O)[N+](=O)[O-])CN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O
  • InChi: 1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-8-11(22(26)27)5-6-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
  • InChiKey: LARGCCICCRRFQG-CHHVJCJISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)acetamide
  • 2-[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-N-(2-hydroxy-5-nitrophenyl)acetamide
  • 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)ethanamide
  • 2-[(5Z)-5-(2-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)acetamide
  • 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
  • 2-[5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)acetamide
  • 2-[5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-N-(2-hydroxy-5-nitrophenyl)acetamide
  • 2-[5-(2-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)acetamide
  • 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)ethanamide
  • jk qSBKIVZK]gADRBGAByOvQQQIFIQ[JYQQYZLyjpypDCTsSPPDq@DNH
  • 3-Thiazolidineacetamide, 5-[(2-chlorophenyl)methylene]-N-(2-hydroxy-5-nitrophenyl)-4-oxo-2-thioxo-, (5Z)-
  • AIDS-225324
  • AIDS225324
  • CBMicro_049976

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
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 granulosus lysine specific demethylase 5A 0.0105 0.0738 0.1773
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0285 0.2341 0.562
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.023 0.0551
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0353 1
Echinococcus granulosus jumonji domain containing protein 0.0121 0.0879 0.2111
Brugia malayi Heterochromatin protein 1 0.0138 0.1027 0.2962
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.023 0.0662
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0077 0.0487 0.1226
Schistosoma mansoni aminopeptidase A (M01 family) 0.0026 0.0031 0.0074
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0027 0.0036 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Brugia malayi PHD-finger family protein 0.0028 0.0053 0.0152
Onchocerca volvulus 0.0036 0.0123 0.0309
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Brugia malayi TATA binding protein associated factor 0.0026 0.0031 0.0089
Toxoplasma gondii aminopeptidase N, putative 0.0026 0.0031 0.0538
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.023 0.0662
Schistosoma mansoni chromobox protein 0.0138 0.1027 0.2466
Echinococcus multilocularis lamin 0.0028 0.0045 0.0108
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0123 0.0295
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0028 0.0049 0.0119
Echinococcus multilocularis jumonji domain containing 1A 0.0028 0.0049 0.0119
Trichomonas vaginalis chromobox protein, putative 0.0083 0.054 0.054
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0123 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Brugia malayi jmjC domain containing protein 0.0028 0.0049 0.0143
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0123 0.0295
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Echinococcus multilocularis peregrin 0.0087 0.0575 0.1381
Brugia malayi MH2 domain containing protein 0.0121 0.0872 0.2516
Schistosoma mansoni hypothetical protein 0.0087 0.0575 0.1381
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0123 0.0123
Echinococcus granulosus chromobox protein 1 0.0138 0.1027 0.2466
Mycobacterium ulcerans beta-lactamase 0.0036 0.0123 0.0193
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Echinococcus multilocularis lamin dm0 0.0028 0.0045 0.0108
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0204 0.0489
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0123 0.1393
Mycobacterium ulcerans lipase LipD 0.0036 0.0123 0.0193
Onchocerca volvulus 0.0026 0.0031 0.0078
Plasmodium vivax SET domain protein, putative 0.0059 0.0325 0.5655
Echinococcus multilocularis lysine specific demethylase 6a 0.0028 0.0049 0.0119
Loa Loa (eye worm) hypothetical protein 0.0077 0.0487 0.117
Onchocerca volvulus 0.0036 0.0123 0.0309
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0353 0.0494
Onchocerca volvulus 0.0469 0.3974 1
Schistosoma mansoni phosphoglucomutase 0.0027 0.0036 0.0088
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.1867 0.3744
Leishmania major ribonuclease H1, putative 0.0027 0.0036 0.0172
Brugia malayi jmjC domain containing protein 0.0105 0.0738 0.2129
Schistosoma mansoni chromobox protein 0.0138 0.1027 0.2466
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0204 0.0587
Loa Loa (eye worm) hypothetical protein 0.0048 0.023 0.0551
Leishmania major hypothetical protein, conserved 0.0036 0.0123 0.2849
Echinococcus multilocularis PHD finger protein rhinoceros 0.0087 0.0575 0.1381
Schistosoma mansoni jumonji domain containing protein 0.0227 0.1818 0.4366
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0377 0.0905
Echinococcus granulosus JmjC domain containing protein 4 0.0028 0.0049 0.0119
Onchocerca volvulus 0.0028 0.0045 0.0113
Onchocerca volvulus 0.0028 0.0045 0.0113
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0028 0.0053 0.033
Brugia malayi TAR-binding protein 0.0065 0.0377 0.1087
Toxoplasma gondii ABC1 family protein 0.0036 0.0123 0.2134
Onchocerca volvulus Ribonuclease H1 homolog 0.0027 0.0036 0.0092
Echinococcus multilocularis chromobox protein 1 0.0138 0.1027 0.2466
Schistosoma mansoni intermediate filament proteins 0.0028 0.0045 0.0108
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0325 0.0781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0204 0.0489
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0325 0.0781
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0026 0.0031 0.0074
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0872 0.2095
Schistosoma mansoni hypothetical protein 0.0028 0.0053 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0377 0.0905
Echinococcus multilocularis Chromobox protein 3 0.0023 0.00000002204 0.00000005292
Leishmania major hypothetical protein, conserved 0.0028 0.0049 0.0576
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0045 0.013
Loa Loa (eye worm) hypothetical protein 0.0059 0.0325 0.0781
Brugia malayi beta-lactamase 0.0036 0.0123 0.0354
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0031 0.0072 0.0173
Trypanosoma brucei ribonuclease H1 0.0027 0.0036 0.0084
Brugia malayi AF-10 protein 0.0028 0.0053 0.0152
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Echinococcus multilocularis geminin 0.0168 0.1298 0.3116
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0377 0.0905
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0123 0.0193
Schistosoma mansoni phosphoglucomutase 0.0027 0.0036 0.0088
Echinococcus multilocularis aminopeptidase N 0.0026 0.0031 0.0074
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0049 0.0119
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0123 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0325 0.0781
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0325 0.0781
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0049 0.0119
Echinococcus granulosus aminopeptidase N 0.0026 0.0031 0.0074
Loa Loa (eye worm) beta-lactamase 0.0036 0.0123 0.0295
Giardia lamblia PHD finger protein 15 0.0087 0.0575 0.0541
Brugia malayi beta-lactamase family protein 0.0036 0.0123 0.0354
Echinococcus multilocularis leukotriene A 4 hydrolase 0.049 0.4165 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0028 0.0053 0.0915
Echinococcus multilocularis musashi 0.0028 0.0045 0.0108
Onchocerca volvulus Alhambra homolog 0.0087 0.0575 0.1447
Plasmodium vivax JmjC domain containing protein 0.0028 0.0049 0.086
Echinococcus multilocularis ribonuclease H1 0.0027 0.0036 0.0088
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0028 0.0049 0.086
Treponema pallidum fructose-bisphosphate aldolase 0.1146 1 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0028 0.0049 0.086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0204 0.0489
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0123 0.0295
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0325 0.0781
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0285 0.2341 0.562
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.056 0.4782 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0045 0.0108
Echinococcus granulosus lysine specific demethylase 6a 0.0028 0.0049 0.0119
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0045 0.0108
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0049 0.0119
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0123 0.0193
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0353 0.0848
Onchocerca volvulus 0.0036 0.0123 0.0309
Loa Loa (eye worm) hypothetical protein 0.0028 0.0053 0.0126
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Echinococcus granulosus intermediate filament protein 0.0028 0.0045 0.0108
Echinococcus granulosus lamin 0.0028 0.0045 0.0108
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.3467 0.8326
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0026 0.0031 0.0074
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0072 0.0208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.0377 0.0905
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0353 0.0678
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0306 0.0734
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Brugia malayi intermediate filament protein 0.0028 0.0045 0.013
Echinococcus granulosus tar DNA binding protein 0.0065 0.0377 0.0905
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0204 0.0489
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0093 0.0269
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0353 0.0848
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.0813
Echinococcus granulosus peregrin 0.0087 0.0575 0.1381
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0026 0.0031 0.0538
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0204 0.0489
Echinococcus granulosus PHD finger protein rhinoceros 0.0087 0.0575 0.1381
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0377 0.1087
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.049 0.4165 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Plasmodium vivax hypothetical protein, conserved 0.0087 0.0575 1
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0057 0.039
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0353 0.6139
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0049 0.2021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0026 0.0031 0.0538
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0353 0.0848
Brugia malayi hypothetical protein 0.0225 0.1806 0.5209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0087 0.0575 0.1381
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0487 0.0487
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0026 0.0031 0.0538
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0377 0.0905
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0204 0.0489
Echinococcus granulosus jumonji domain containing 1A 0.0028 0.0049 0.0119
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.056 0.4782 1
Loa Loa (eye worm) aminopeptidase N 0.0026 0.0031 0.0074
Schistosoma mansoni jumonji domain containing protein 0.0028 0.0049 0.0119
Trichomonas vaginalis esterase, putative 0.0036 0.0123 0.0123
Onchocerca volvulus 0.0026 0.0031 0.0078
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0325 0.0781
Echinococcus multilocularis lysine specific demethylase 5A 0.0105 0.0738 0.1773
Brugia malayi jmjC domain containing protein 0.0285 0.2341 0.6751
Brugia malayi Bromodomain containing protein 0.0087 0.0575 0.1658
Schistosoma mansoni hypothetical protein 0.0168 0.1298 0.3116
Loa Loa (eye worm) hypothetical protein 0.0033 0.0093 0.0224
Plasmodium falciparum phd finger protein, putative 0.0087 0.0575 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0053 0.0915
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0123 0.0123
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0049 0.2021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Trichomonas vaginalis chromobox protein, putative 0.0083 0.054 0.054
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0872 0.2095
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Echinococcus granulosus ribonuclease H1 0.0027 0.0036 0.0088
Echinococcus granulosus Chromobox protein 3 0.0023 0.00000002204 0.00000005292
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0028 0.0053 0.0915
Trypanosoma brucei RNA helicase, putative 0.01 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0031 0.0074
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0353 0.0848
Brugia malayi beta-lactamase family protein 0.0036 0.0123 0.0354
Loa Loa (eye worm) hypothetical protein 0.0149 0.1129 0.2712
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.049 0.4165 1
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0057 0.039
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0026 0.0031 0.0074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.0738 0.1773
Trypanosoma cruzi ribonuclease H1, putative 0.0027 0.0036 0.0603
Brugia malayi SET domain containing protein 0.0025 0.0019 0.0056
Entamoeba histolytica aminopeptidase, putative 0.0026 0.0031 0.0031
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0487 0.0487
Schistosoma mansoni hypothetical protein 0.0033 0.0093 0.0224
Schistosoma mansoni phosphatidylserine receptor 0.0028 0.0049 0.0119
Loa Loa (eye worm) PHD-finger family protein 0.0087 0.0575 0.1381
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0353 0.0678
Schistosoma mansoni lamin 0.0028 0.0045 0.0108
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1146 1 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0377 0.0905
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0028 0.0049 0.0282
Echinococcus granulosus geminin 0.0168 0.1298 0.3116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0123 0.0295
Brugia malayi RNase H family protein 0.0027 0.0036 0.0105
Schistosoma mansoni phosphoglucomutase 0.0027 0.0036 0.0088
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0026 0.0031 0.0074
Brugia malayi Peptidase family M1 containing protein 0.0026 0.0031 0.0089
Brugia malayi RNase H family protein 0.0027 0.0036 0.0105
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0028 0.0049 0.0119
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1146 1 1
Brugia malayi jmjC domain containing protein 0.0028 0.0049 0.0143
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0286 0.0286
Echinococcus granulosus chromobox protein 1 0.0138 0.1027 0.2466
Echinococcus multilocularis chromobox protein 1 0.0138 0.1027 0.2466
Brugia malayi hypothetical protein 0.0026 0.0031 0.0089
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0377 0.0905
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0286 0.0286
Echinococcus granulosus phd:f box containing protein 0.0028 0.0049 0.0119
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0325 0.5655
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.056 0.4782 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0105 0.0738 0.1773
Trichomonas vaginalis ribonuclease H1, putative 0.0027 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0028 0.0049 0.0119
Loa Loa (eye worm) hypothetical protein 0.0026 0.0031 0.0074
Brugia malayi RNase H family protein 0.0027 0.0036 0.0105
Schistosoma mansoni lamin 0.0028 0.0045 0.0108
Trypanosoma brucei unspecified product 0.0029 0.0057 0.039
Brugia malayi Peptidase family M1 containing protein 0.0026 0.0031 0.0089
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0123 0.0123
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0123 0.2134
Onchocerca volvulus 0.0082 0.0526 0.1324
Loa Loa (eye worm) heterochromatin protein 1 0.0138 0.1027 0.2466
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.0575 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0031 0.0074
Brugia malayi chromobox protein homolog 3 0.0077 0.0487 0.1406
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0082 0.0526 0.1263
Loa Loa (eye worm) TATA binding protein associated factor 0.0026 0.0031 0.0074
Brugia malayi jmjC domain containing protein 0.0028 0.0049 0.0143
Brugia malayi hypothetical protein 0.0026 0.0031 0.0089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0204 0.0489
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0083 0.054 0.1358
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0029 0.0057 0.039
Echinococcus granulosus leukotriene A 4 hydrolase 0.049 0.4165 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0026 0.0031 0.0074
Toxoplasma gondii ribonuclease HI protein 0.0027 0.0036 0.0634
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0026 0.0031 0.0031
Brugia malayi PHD-finger family protein 0.0087 0.0575 0.1658
Echinococcus multilocularis jumonji domain containing protein 0.0121 0.0879 0.2111
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0377 0.0905
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.0575 1
Schistosoma mansoni hypothetical protein 0.0168 0.1298 0.3116
Loa Loa (eye worm) jmjC domain-containing protein 0.018 0.1401 0.3365
Brugia malayi Peptidase family M1 containing protein 0.0026 0.0031 0.0089
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0123 0.0123
Trichomonas vaginalis chromobox protein, putative 0.0138 0.1027 0.1027
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0045 0.0108
Brugia malayi jmjC domain containing protein 0.0028 0.0049 0.0143
Onchocerca volvulus 0.0061 0.0339 0.0852
Schistosoma mansoni protein phosphatase 2C 0.0028 0.0049 0.0119
Schistosoma mansoni phd/f-box containing protein 0.0028 0.0049 0.0119
Schistosoma mansoni hypothetical protein 0.01 0.069 0.1656
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0057 0.039
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0123 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0049 0.0119
Brugia malayi Pre-SET motif family protein 0.0412 0.3467 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0353 0.0678
Brugia malayi RNA binding protein 0.0065 0.0377 0.1087
Mycobacterium ulcerans hypothetical protein 0.0036 0.0123 0.0193
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0026 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0087 0.0575 0.1381
Echinococcus multilocularis phd:f box containing protein 0.0028 0.0049 0.0119
Loa Loa (eye worm) hypothetical protein 0.0027 0.0041 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.0738 0.1773
Plasmodium falciparum JmjC domain-containing protein, putative 0.0028 0.0049 0.086
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0123 0.0295
Toxoplasma gondii aminopeptidase n, putative 0.0026 0.0031 0.0538
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0026 0.0031 0.0031
Giardia lamblia Fructose-bisphosphate aldolase 0.1146 1 1
Onchocerca volvulus 0.0023 0.00000002204 0.000000055456
Onchocerca volvulus 0.0026 0.0031 0.0078
Brugia malayi Pre-SET motif family protein 0.0059 0.0325 0.0938
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0028 0.0053 0.033
Trichomonas vaginalis set domain proteins, putative 0.0469 0.3974 0.3974
Echinococcus multilocularis JmjC domain containing protein 4 0.0028 0.0049 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0204 0.0489
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0028 0.0049 0.0119
Loa Loa (eye worm) hypothetical protein 0.0036 0.0123 0.0295
Toxoplasma gondii aminopeptidase N protein 0.0026 0.0031 0.0538
Trypanosoma cruzi ribonuclease H1, putative 0.0027 0.0036 0.0603
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0053 0.0915
Echinococcus granulosus lamin dm0 0.0028 0.0045 0.0108
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0123 0.0354
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0377 0.0905
Trichomonas vaginalis chromobox protein, putative 0.0138 0.1027 0.1027
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0026 0.0031 0.0538
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0026 0.0031 0.0074

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 uM Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer) ChEMBL. 15634005
IC50 (binding) = 18 uM Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer) ChEMBL. 15634005
IC50 (binding) = 20 uM Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing) ChEMBL. 15634005
IC50 (binding) = 20 uM Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing) ChEMBL. 15634005

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

1 literature reference was collected for this gene.

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