Detailed information for compound 1417938

Basic information

Technical information
  • TDR Targets ID: 1417938
  • Name: N-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-qui nazolin-3-yl)-3-methylbutanamide
  • MW: 337.394 | Formula: C15H19N3O4S
  • H donors: 2 H acceptors: 2 LogP: 1.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)[nH]c(=S)n(c2=O)NC(=O)CC(C)C
  • InChi: 1S/C15H19N3O4S/c1-8(2)5-13(19)17-18-14(20)9-6-11(21-3)12(22-4)7-10(9)16-15(18)23/h6-8H,5H2,1-4H3,(H,16,23)(H,17,19)
  • InChiKey: QADOSDWICWUVQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-methyl-butanamide
  • N-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-methylbutanamide
  • N-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)-3-methyl-butyramide
  • N-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-methyl-butanamide
  • MLS000051819
  • N-(6,7-dimethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-methylbutanamide
  • SMR000080889
  • ZINC02341964

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0149 0.0991 0.3114
Echinococcus granulosus GPCR family 2 0.0375 0.2958 0.3135
Brugia malayi RNA recognition motif domain containing protein 0.1121 0.9437 0.9436
Brugia malayi RNA binding protein 0.1121 0.9437 0.9436
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0375 0.2958 0.3135
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1881 0.1878
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0149 0.0991 0.1047
Echinococcus multilocularis isocitrate dehydrogenase 0.0149 0.0991 0.1047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Schistosoma mansoni hypothetical protein 0.0375 0.2958 0.3131
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0149 0.0991 0.1051
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0012 0.0012
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0404 0.3205 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0124 0.0131
Schistosoma mansoni tar DNA-binding protein 0.1121 0.9437 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0149 0.0991 0.0988
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2866 1
Onchocerca volvulus 0.01 0.057 0.1996
Toxoplasma gondii isocitrate dehydrogenase 0.0149 0.0991 0.3084
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0983 0.098
Loa Loa (eye worm) hypothetical protein 0.006 0.0223 0.0219
Brugia malayi Isocitrate dehydrogenase 0.0149 0.0991 0.0988
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1367 0.3734
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0012 0.0008
Echinococcus granulosus peregrin 0.0035 0.0004 0.0004
Onchocerca volvulus Huntingtin homolog 0.0148 0.0983 0.3451
Toxoplasma gondii isocitrate dehydrogenase 0.0149 0.0991 0.3084
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.2764 0.808
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2866 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.1367 0.0851
Brugia malayi Pre-SET motif family protein 0.0036 0.0012 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0069 0.0068
Loa Loa (eye worm) hypothetical protein 0.0375 0.2958 0.2955
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0404 0.3205 0.3394
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0149 0.0991 0.3084
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1186 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2764 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0149 0.0991 0.3114
Brugia malayi Latrophilin receptor protein 2 0.0375 0.2958 0.2955
Brugia malayi N-terminal motif family protein 0.0362 0.2841 0.2838
Loa Loa (eye worm) TAR-binding protein 0.1121 0.9437 0.9436
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0404 0.3205 1
Brugia malayi latrophilin 2 splice variant baaae 0.0811 0.6741 0.6739
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1198 0.3871
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0149 0.0991 0.3114
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0012 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Schistosoma mansoni hypothetical protein 0.0375 0.2958 0.3131
Onchocerca volvulus 0.0036 0.0012 0.0026
Echinococcus granulosus tar DNA binding protein 0.1121 0.9437 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0149 0.0991 0.1047
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2866 1
Schistosoma mansoni hypothetical protein 0.0375 0.2958 0.3131
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.057 0.06
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0404 0.3205 0.3397
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0265 0.1997 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.2764 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0375 0.2958 0.3131
Brugia malayi TAR-binding protein 0.1121 0.9437 0.9436
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0265 0.1997 1
Brugia malayi hypothetical protein 0.0148 0.0983 0.098
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.033 0.0326
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1196 0.2033
Brugia malayi Probable ClpP-like protease 0.0404 0.3205 0.3203
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0012 0.0008
Schistosoma mansoni tar DNA-binding protein 0.1121 0.9437 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.057 0.0605
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0149 0.0991 0.3084
Echinococcus granulosus peptidase Clp S14 family 0.0265 0.1997 0.2116
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0149 0.0991 0.1047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0012 0.0008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0012 0.0007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0012 0.0023
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0265 0.1997 0.4744
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Brugia malayi jmjC domain containing protein 0.0115 0.07 0.0696
Loa Loa (eye worm) hypothetical protein 0.01 0.057 0.0566
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0375 0.2958 0.3135
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0069 0.0073
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0139 0.0907 0.2819
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0494 0.0519
Schistosoma mansoni peptidase Clp (S14 family) 0.0404 0.3205 0.3394
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.057 0.0566
Brugia malayi Calcitonin receptor-like protein seb-1 0.1186 1 1
Toxoplasma gondii hypothetical protein 0.0059 0.0209 0.0641
Echinococcus multilocularis GPCR, family 2 0.0375 0.2958 0.3131
Schistosoma mansoni hypothetical protein 0.0811 0.6741 0.7142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0012 0.0008
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.057 0.06
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0375 0.2958 0.2955
Toxoplasma gondii hypothetical protein 0.0139 0.0907 0.2819
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.07 0.0738
Plasmodium vivax SET domain protein, putative 0.0036 0.0012 0.0023
Echinococcus multilocularis tar DNA binding protein 0.1121 0.9437 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0362 0.2841 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2866 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0012 0.0008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0149 0.0991 0.1047
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1121 0.9437 0.9436
Echinococcus multilocularis peptidase Clp (S14 family) 0.0265 0.1997 0.2113
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0404 0.3205 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0404 0.3205 1
Loa Loa (eye worm) RNA binding protein 0.1121 0.9437 0.9436
Loa Loa (eye worm) hypothetical protein 0.0404 0.3205 0.3203
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1881 0.1878
Onchocerca volvulus Huntingtin homolog 0.0148 0.0983 0.3451
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.07 0.0742
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0149 0.0991 0.3114
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0149 0.0991 0.1047
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1196 0.1259
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1198 0.1099
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0069 0.0064
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2764 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0069 0.0068
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0004 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0241 0.0358
Brugia malayi jmjC domain containing protein 0.0043 0.0069 0.0064
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0139 0.0907 0.2819
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0124 0.0127
Loa Loa (eye worm) latrophilin receptor protein 2 0.0375 0.2958 0.2955
Schistosoma mansoni tar DNA-binding protein 0.1121 0.9437 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0404 0.3205 1
Loa Loa (eye worm) hypothetical protein 0.0811 0.6741 0.6739
Schistosoma mansoni hypothetical protein 0.0375 0.2958 0.3131
Schistosoma mansoni tar DNA-binding protein 0.1121 0.9437 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1198 0.3871
Loa Loa (eye worm) hypothetical protein 0.0362 0.2841 0.2838
Loa Loa (eye worm) hypothetical protein 0.0148 0.0983 0.098
Brugia malayi isocitrate dehydrogenase 0.0149 0.0991 0.0988
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0069 0.0068
Loa Loa (eye worm) hypothetical protein 0.1186 1 1
Onchocerca volvulus 0.0286 0.2183 0.7679
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2764 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0375 0.2958 0.3131
Schistosoma mansoni tar DNA-binding protein 0.1121 0.9437 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 3.9811 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) 7.3048 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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) = 11.1936 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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