Detailed information for compound 1443241

Basic information

Technical information
  • TDR Targets ID: 1443241
  • Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-butylpiperaz ine-1-carbothioamide; oxalic acid
  • MW: 425.499 | Formula: C19H27N3O6S
  • H donors: 2 H acceptors: 4 LogP: 0.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CCCCN=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)S
  • InChi: 1S/C17H25N3O2S.C2H2O4/c1-2-3-6-18-17(23)20-9-7-19(8-10-20)12-14-4-5-15-16(11-14)22-13-21-15;3-1(4)2(5)6/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,18,23);(H,3,4)(H,5,6)
  • InChiKey: ZAFSEGHIYWSCQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1,3-benzodioxol-5-ylmethyl)-N-butyl-piperazine-1-carbothioamide; oxalic acid
  • 4-(1,3-benzodioxol-5-ylmethyl)-N-butyl-1-piperazinecarbothioamide; oxalic acid
  • 4-(1,3-benzodioxol-5-ylmethyl)-N-butyl-piperazine-1-carbothioamide; ethanedioic acid
  • MLS000710718
  • SMR000280485

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 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
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis 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
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
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
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 Probable JmjC domain-containing histone demethylation protein 3B, putative 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
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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 granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
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
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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 japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative 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
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
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 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
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
Loa Loa (eye worm) hypothetical protein 0.01 0.0075 0.0073
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1524 0.1659 0.1657
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0017 0.0015
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0017 0.0016
Mycobacterium tuberculosis Carboxylesterase LipT 0.1524 0.1659 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.1524 0.1659 0.1657
Loa Loa (eye worm) hypothetical protein 0.0036 0.0003 0.0001
Echinococcus multilocularis chromobox protein 1 0.0084 0.0056 0.0054
Loa Loa (eye worm) hypothetical protein 0.9021 1 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Schistosoma mansoni hypothetical protein 0.0205 0.0191 0.0189
Brugia malayi Pre-SET motif family protein 0.0036 0.0003 0.0001
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0075 0.0073
Echinococcus granulosus carboxylesterase 5A 0.9021 1 1
Onchocerca volvulus 0.1524 0.1659 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0002 0.0001
Brugia malayi hypothetical protein 0.1524 0.1659 0.1657
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0019 0.0104
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.0356 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0056 0.034
Echinococcus multilocularis BC026374 protein (S09 family) 0.1524 0.1659 0.1657
Echinococcus granulosus lysine specific demethylase 5A 0.0114 0.0089 0.0088
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0123 0.0121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Echinococcus granulosus BC026374 protein S09 family 0.1524 0.1659 0.1658
Loa Loa (eye worm) hypothetical protein 0.0037 0.0004 0.0002
Schistosoma mansoni acetylcholinesterase 0.1524 0.1659 0.1657
Plasmodium falciparum phd finger protein, putative 0.0035 0.0002 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0056 0.0054
Echinococcus granulosus acetylcholinesterase 0.9021 1 1
Onchocerca volvulus 0.1524 0.1659 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Onchocerca volvulus 0.0286 0.0281 0.1685
Schistosoma mansoni BC026374 protein (S09 family) 0.1524 0.1659 0.1657
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0242 0.0241
Brugia malayi Carboxylesterase family protein 0.1524 0.1659 0.1657
Echinococcus multilocularis acetylcholinesterase 0.9021 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.017 0.0168
Brugia malayi jmjC domain containing protein 0.0186 0.017 0.0168
Echinococcus multilocularis carboxylesterase 5A 0.9021 1 1
Onchocerca volvulus 0.1524 0.1659 1
Schistosoma mansoni hypothetical protein 0.0205 0.0191 0.0189
Trichomonas vaginalis spcc417.12 protein, putative 0.1524 0.1659 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.017 0.0169
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Schistosoma mansoni gliotactin 0.1524 0.1659 0.1657
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0015 0.008
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1524 0.1659 0.1657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0003 0.0001
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.0089 0.0087
Brugia malayi Carboxylesterase family protein 0.1524 0.1659 0.1657
Brugia malayi Carboxylesterase family protein 0.1524 0.1659 0.1657
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0075 0.0073
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.0089 0.0087
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0281 0.1695
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0044 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0003 0.0001
Schistosoma mansoni chromobox protein 0.0084 0.0056 0.0054
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Schistosoma mansoni chromobox protein 0.0084 0.0056 0.0054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0356 0.5
Loa Loa (eye worm) hypothetical protein 0.9021 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1524 0.1659 0.1657
Onchocerca volvulus 0.1524 0.1659 1
Onchocerca volvulus 0.01 0.0075 0.0438
Loa Loa (eye worm) jmjC domain-containing protein 0.0114 0.0089 0.0087
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0356 0.5
Echinococcus granulosus peregrin 0.0035 0.0002 0.0001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0003 0.0001
Echinococcus granulosus neuroligin 0.1524 0.1659 0.1658
Onchocerca volvulus 0.005 0.0018 0.0098
Onchocerca volvulus 0.0037 0.0004 0.0012
Echinococcus granulosus chromobox protein 1 0.0084 0.0056 0.0055
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.9021 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0003 0.0001
Echinococcus multilocularis chromobox protein 1 0.0084 0.0056 0.0054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Echinococcus granulosus acetylcholinesterase 0.9021 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0003 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0075 0.0073
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0019 0.0116
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.0356 1
Echinococcus multilocularis acetylcholinesterase 0.9021 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.1524 0.1659 1
Brugia malayi jmjC domain containing protein 0.0114 0.0089 0.0087
Loa Loa (eye worm) hypothetical protein 0.0079 0.0051 0.0049
Echinococcus granulosus para nitrobenzyl esterase 0.1524 0.1659 0.1658
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0056 0.034
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0019 0.0116
Loa Loa (eye worm) acetylcholinesterase 1 0.9021 1 1
Onchocerca volvulus 0.1524 0.1659 1
Loa Loa (eye worm) carboxylesterase 0.1524 0.1659 0.1657
Loa Loa (eye worm) carboxylesterase 0.1524 0.1659 0.1657
Echinococcus multilocularis para nitrobenzyl esterase 0.1524 0.1659 0.1657
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0015 0.0092
Echinococcus multilocularis geminin 0.0205 0.0191 0.0189
Echinococcus granulosus chromobox protein 1 0.0084 0.0056 0.0055
Brugia malayi Carboxylesterase family protein 0.1524 0.1659 0.1657
Brugia malayi Pre-SET motif family protein 0.0251 0.0242 0.0241
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0003 0.0001
Loa Loa (eye worm) carboxylesterase 0.9021 1 1
Echinococcus granulosus geminin 0.0205 0.0191 0.0189
Echinococcus granulosus family S9 non peptidase ue S09 family 0.1524 0.1659 0.1658
Loa Loa (eye worm) hypothetical protein 0.1524 0.1659 0.1657
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0155 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Schistosoma mansoni jumonji domain containing protein 0.0163 0.0144 0.0142
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0018 0.0016
Brugia malayi MH2 domain containing protein 0.0144 0.0123 0.0121
Loa Loa (eye worm) hypothetical protein 0.0047 0.0015 0.0013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0356 0.2143
Echinococcus multilocularis neuroligin 0.1524 0.1659 0.1657
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0123 0.0121
Brugia malayi Heterochromatin protein 1 0.0084 0.0056 0.0054
Mycobacterium ulcerans carboxylesterase, LipT 0.1524 0.1659 1
Brugia malayi Carboxylesterase family protein 0.9021 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0015 0.0092
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1524 0.1659 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.0089 0.0087
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.1524 0.1659 0.1657
Brugia malayi chromobox protein homolog 3 0.0047 0.0015 0.0013
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0003 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1524 0.1659 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) 4.4668 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) = 5.6101 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) 8.9125 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 18.526 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 28.1838 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.