Detailed information for compound 1396994

Basic information

Technical information
  • TDR Targets ID: 1396994
  • Name: oxalic acid; 4-(phenylmethyl)-N-prop-2-enylpi perazine-1-carbothioamide
  • MW: 365.447 | Formula: C17H23N3O4S
  • H donors: 3 H acceptors: 4 LogP: -0.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.C=CCNC(=S)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C15H21N3S.C2H2O4/c1-2-8-16-15(19)18-11-9-17(10-12-18)13-14-6-4-3-5-7-14;3-1(4)2(5)6/h2-7H,1,8-13H2,(H,16,19);(H,3,4)(H,5,6)
  • InChiKey: VSKNMXULXRXQOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-allyl-4-(phenylmethyl)piperazine-1-carbothioamide; oxalic acid
  • N-allyl-4-(phenylmethyl)-1-piperazinecarbothioamide; oxalic acid
  • N-allyl-4-(benzyl)piperazine-1-carbothioamide; oxalic acid
  • ethanedioic acid; 4-(phenylmethyl)-N-prop-2-enyl-piperazine-1-carbothioamide
  • MLS000712695
  • SMR000282462

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Fructose-bisphosphate aldolase 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable 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
Schistosoma mansoni chromobox 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein 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
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii DNA topoisomerase 2, putative 0.0115 0.18 0.1687
Plasmodium falciparum DNA gyrase subunit B 0.0183 0.3222 0.1734
Echinococcus multilocularis chromobox protein 1 0.0084 0.1144 0.6358
Leishmania major DNA topoisomerase ii 0.01 0.1479 0.3102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0538 0.299
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1144 0.1687
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0538 0.299
Mycobacterium ulcerans DNA gyrase subunit B 0.0183 0.3222 0.3222
Echinococcus multilocularis Protein lozenge 0.0057 0.0581 0.3229
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4652 0.5134
Leishmania major mitochondrial DNA topoisomerase II 0.0158 0.2701 0.5664
Trichomonas vaginalis set domain proteins, putative 0.0286 0.538 0.7931
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2996 0.2996
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0115 0.18 0.1868
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0918 0.0793
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0918 0.4699
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0918 0.5098
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.6783 1
Onchocerca volvulus 0.0457 0.8959 1
Chlamydia trachomatis DNA gyrase subunit B 0.014 0.2321 0.1697
Brugia malayi Heterochromatin protein 1 0.0084 0.1144 0.1143
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.0032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0918 0.0918
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0424 0.1736
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1144 0.1172
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.4769 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0538 0.2419
Brugia malayi Probable DNA topoisomerase II 0.0115 0.18 0.1886
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.008 0.0118
Plasmodium vivax DNA topoisomerase II, putative 0.0115 0.18 0.1687
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0918 0.0918
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0444 0.0328
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0538 0.299
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0115 0.18 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.01 0.1479 0.3102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Schistosoma mansoni chromobox protein 0.0084 0.1144 0.6061
Loa Loa (eye worm) hypothetical protein 0.0457 0.8959 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0108 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4769 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0918 0.5098
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0183 0.3222 0.3222
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.6783 1
Brugia malayi Pre-SET motif family protein 0.0251 0.4652 0.5118
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0093 0.1329 0.121
Chlamydia trachomatis DNA gyrase subunit B 0.0183 0.3222 0.2671
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0444 0.0654
Schistosoma mansoni lozenge 0.0057 0.0581 0.2677
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2996 0.9684
Onchocerca volvulus 0.0286 0.538 0.5935
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.6783 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0369 0.0544
Trichomonas vaginalis DNA topoisomerase II, putative 0.0115 0.18 0.2653
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0369 0.0544
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0918 0.0918
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0444 0.0654
Echinococcus granulosus chromobox protein 1 0.0084 0.1144 0.6358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0538 0.2419
Loa Loa (eye worm) hypothetical protein 0.0065 0.0751 0.0728
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0136 0.0753
Leishmania major hypothetical protein, conserved 0.0257 0.4769 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2996 0.2996
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0115 0.18 0.1868
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0136 0.0753
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4769 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.01 0.1479 0.3102
Trypanosoma brucei DNA topoisomerase ii 0.0158 0.2701 0.3714
Schistosoma mansoni chromobox protein 0.0084 0.1144 0.6061
Loa Loa (eye worm) hypothetical protein 0.0457 0.8959 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0136 0.0753
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0538 0.2419
Brugia malayi chromobox protein homolog 3 0.0047 0.0369 0.0264
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0158 0.2701 0.5664
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0115 0.18 0.1868
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0115 0.18 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.008 0.0118
Loa Loa (eye worm) runx1 0.0057 0.0581 0.0535
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.6783 0.5254
Brugia malayi hypothetical protein 0.0457 0.8959 1
Loa Loa (eye worm) TOPoisomerase family member 0.0115 0.18 0.1912
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0158 0.2701 0.5664
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0538 0.0456
Loa Loa (eye worm) hypothetical protein 0.0037 0.0155 0.0054
Loa Loa (eye worm) hypothetical protein 0.0047 0.0369 0.0296
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0115 0.18 0.1886
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1144 0.1687
Plasmodium vivax DNA gyrase subunit B, putative 0.0183 0.3222 0.3129
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0369 0.0243
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0538 0.299
Loa Loa (eye worm) hypothetical protein 0.0065 0.0751 0.0728
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0918 0.4699
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0115 0.18 0.1886
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0918 0.0918
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0538 0.0487
Echinococcus granulosus chromobox protein 1 0.0084 0.1144 0.6358
Echinococcus multilocularis chromobox protein 1 0.0084 0.1144 0.6358
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0918 0.1924
Schistosoma mansoni DNA topoisomerase II 0.0115 0.18 1
Onchocerca volvulus 0.005 0.0424 0.0306
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.6783 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0177 0.3085 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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 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) 14.1254 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) = 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 (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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 28.1838 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 for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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.

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