Detailed information for compound 1371392

Basic information

Technical information
  • TDR Targets ID: 1371392
  • Name: 1-cyclohexyl-3-[(3,4,5-trihydroxybenzoyl)amin o]urea
  • MW: 309.318 | Formula: C14H19N3O5
  • H donors: 6 H acceptors: 5 LogP: 1.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NC1CCCCC1)NNC(=O)c1cc(O)c(c(c1)O)O
  • InChi: 1S/C14H19N3O5/c18-10-6-8(7-11(19)12(10)20)13(21)16-17-14(22)15-9-4-2-1-3-5-9/h6-7,9,18-20H,1-5H2,(H,16,21)(H2,15,17,22)
  • InChiKey: QIPJVNLGKKDHOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclohexyl-3-[[oxo-(3,4,5-trihydroxyphenyl)methyl]amino]urea
  • 1-cyclohexyl-3-[(3,4,5-trihydroxyphenyl)carbonylamino]urea
  • ZINC00433757
  • MLS000579680
  • N-cyclohexyl-2-(3,4,5-trihydroxybenzoyl)hydrazinecarboxamide
  • SMR000186868

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 aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Fructose-bisphosphate aldolase 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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 braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Echinococcus multilocularis L aminoadipate semialdehyde 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
Echinococcus granulosus Transcription factor JmjC domain containing 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis proteinx0005 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
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum lysophospholipase, putative 0.1057 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Brugia malayi jmjC domain containing protein 0.0114 0.0691 0.337
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0293 0.0376
Loa Loa (eye worm) hypothetical protein 0.0228 0.1823 0.8894
Trypanosoma brucei monoglyceride lipase, putative 0.1057 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1511 0.7372
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Echinococcus granulosus fatty acid amide hydrolase 1 0.0228 0.1823 0.2339
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0062 0.0184 0.6281
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0062 0.0184 0.0184
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7795 1
Chlamydia trachomatis acyltransferase family protein 0.0062 0.0184 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0062 0.0184 0.0184
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.056 0.0719
Schistosoma mansoni peptidase 0.0062 0.0184 0.0236
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0062 0.0184 0.0184
Trypanosoma cruzi serine peptidase, putative 0.0062 0.0184 0.0184
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1057 1 1
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0062 0.0184 0.6281
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0293 0.0111
Echinococcus multilocularis Phospholipase carboxylesterase 0.0062 0.0184 0.0236
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0062 0.0184 0.0184
Toxoplasma gondii hypothetical protein 0.0062 0.0184 0.6281
Echinococcus granulosus Phospholipase carboxylesterase 0.0062 0.0184 0.0236
Brugia malayi MGC79044 protein 0.0062 0.0184 0.0897
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0062 0.0184 0.0184
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0062 0.0184 0.0236
Toxoplasma gondii phospholipase/carboxylesterase 0.0062 0.0184 0.6281
Loa Loa (eye worm) hypothetical protein 0.0062 0.0184 0.0897
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1057 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1271 0.1107
Loa Loa (eye worm) hypothetical protein 0.0062 0.0184 0.0897
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0293 0.0111
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0062 0.0184 0.0184
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0062 0.0184 0.6281
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1511 0.1939
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0062 0.0184 0.0184
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0053 0.0068
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0062 0.0184 0.0184
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.205 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.0691 0.0886
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0293 0.0376
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0062 0.0184 0.0184
Brugia malayi Pre-SET motif family protein 0.0251 0.205 1
Trypanosoma brucei monoglyceride lipase, putative 0.1057 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0184 0.0897
Trichomonas vaginalis conserved hypothetical protein 0.1057 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.056 0.0719
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0062 0.0184 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.1057 1 1
Brugia malayi jmjC domain containing protein 0.0186 0.1408 0.687
Echinococcus granulosus abhydrolase domain containing 3 0.0062 0.0184 0.0236
Trypanosoma cruzi monoglyceride lipase, putative 0.1057 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Plasmodium falciparum lysophospholipase, putative 0.1057 1 1
Toxoplasma gondii hypothetical protein 0.0062 0.0184 0.6281
Echinococcus granulosus lysine specific demethylase 5A 0.0114 0.0691 0.0886
Leishmania major hypothetical protein, conserved 0.0062 0.0184 0.0184
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3053 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1271 0.1107
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0062 0.0184 0.0184
Schistosoma mansoni alpha-glucosidase 0.0169 0.1241 0.1592
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.0691 0.0886
Toxoplasma gondii protein c14orf29, putative 0.0062 0.0184 0.6281
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.1408 0.1807
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7795 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0293 0.0111
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0062 0.0184 0.0184
Trypanosoma cruzi serine peptidase, putative 0.0062 0.0184 0.0184
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0228 0.1823 0.2339
Loa Loa (eye worm) hypothetical protein 0.0062 0.0184 0.0897
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0053 0.0068
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1057 1 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0228 0.1823 0.2339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Schistosoma mansoni jumonji domain containing protein 0.0163 0.1174 0.1507
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0228 0.1823 0.2339
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0062 0.0184 0.0184
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1511 0.1939
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0287 0.1398
Plasmodium falciparum esterase, putative 0.1057 1 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.056 0.2732
Loa Loa (eye worm) hypothetical protein 0.01 0.056 0.2732
Brugia malayi Protein C20orf22 0.0062 0.0184 0.0897
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0293 0.0111
Schistosoma mansoni amidase 0.0228 0.1823 0.2339
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3053 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0293 0.0376
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0062 0.0184 0.0184
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7795 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0062 0.0184 0.0184
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0062 0.0184 0.0184
Entamoeba histolytica hypothetical protein 0.0062 0.0184 0.0184
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0293 1
Leishmania major hypothetical protein, conserved 0.0062 0.0184 0.0184
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1057 1 1
Toxoplasma gondii hypothetical protein 0.0062 0.0184 0.6281
Schistosoma mansoni alpha-glucosidase 0.0169 0.1241 0.1592
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1511 0.1939
Chlamydia trachomatis hydrolase 0.0062 0.0184 0.5
Plasmodium vivax PST-A protein 0.1057 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.1057 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2393 0.2393
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Schistosoma mansoni fatty-acid amide hydrolase 0.0228 0.1823 0.2339
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0062 0.0184 0.0236
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0293 0.0293
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.1408 0.1807
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1057 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Plasmodium falciparum lysophospholipase, putative 0.1057 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0293 0.0376
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1057 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0062 0.0184 0.0184
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3053 0.3053
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0062 0.0184 0.0236
Toxoplasma gondii phospholipase 0.0062 0.0184 0.6281
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0062 0.0184 0.0236
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0062 0.0184 0.0184
Entamoeba histolytica hypothetical protein 0.0062 0.0184 0.0184
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.056 0.0719
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0079 0.0352 0.1716
Onchocerca volvulus 0.0286 0.2393 1
Brugia malayi amidase 0.0228 0.1823 0.8894
Mycobacterium ulcerans lysophospholipase 0.1057 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0114 0.0691 0.337
Echinococcus multilocularis abhydrolase domain containing 3 0.0062 0.0184 0.0236
Loa Loa (eye worm) hypothetical protein 0.0062 0.0184 0.0897
Mycobacterium ulcerans hypothetical protein 0.1057 1 1
Entamoeba histolytica ;Alias 0.0062 0.0184 0.0184
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1511 0.7372
Brugia malayi MGC83647 protein 0.0062 0.0184 0.0897
Trichomonas vaginalis valacyclovir hydrolase, putative 0.1057 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.0691 0.0886
Leishmania major monoglyceride lipase, putative 0.1057 1 1
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0062 0.0184 0.0184
Echinococcus granulosus abhydrolase domain containing protein 13 0.0062 0.0184 0.0236
Onchocerca volvulus 0.0114 0.0692 0.0721
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0184 0.0184
Toxoplasma gondii peptidase S15, putative 0.0062 0.0184 0.6281
Toxoplasma gondii hypothetical protein 0.0062 0.0184 0.6281
Mycobacterium tuberculosis Possible lysophospholipase 0.1057 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 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) = 3.9811 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 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) = 17.7407 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 (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 47.7548 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 75.6863 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.