Detailed information for compound 1431224

Basic information

Technical information
  • TDR Targets ID: 1431224
  • Name: 3-[[di(propan-2-yloxy)phosphoryl-phenylmethyl ]amino]benzoic acid
  • MW: 391.398 | Formula: C20H26NO5P
  • H donors: 2 H acceptors: 3 LogP: 3.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OP(=O)(C(c1ccccc1)Nc1cccc(c1)C(=O)O)OC(C)C)C
  • InChi: 1S/C20H26NO5P/c1-14(2)25-27(24,26-15(3)4)19(16-9-6-5-7-10-16)21-18-12-8-11-17(13-18)20(22)23/h5-15,19,21H,1-4H3,(H,22,23)
  • InChiKey: JKCJKRCCHCNJAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(diisopropoxyphosphoryl-phenyl-methyl)amino]benzoic acid
  • 3-[(diisopropoxyphosphoryl-phenylmethyl)amino]benzoic acid
  • 3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]benzoic acid
  • STOCK1S-18616
  • SMR000413087
  • 3-{[(Diisopropoxy-phosphoryl)-phenyl-methyl]-amino}-benzoic acid
  • MLS000776688

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica CAAX prenyl protease family 0.0093 0.0082 0.136
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Plasmodium falciparum small ubiquitin-related modifier 0.003 0.0015 0.4625
Schistosoma mansoni thyroid hormone receptor 0.003 0.0015 0.0015
Leishmania major mitochondrial DNA polymerase beta 0.0294 0.0293 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.0175 0.2987
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.0175 0.303
Plasmodium vivax glutathione reductase, putative 0.0046 0.0032 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0032 0.1082
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.003 0.2169
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.0141 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0015 0.1042
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Brugia malayi hypothetical protein 0.003 0.0015 0.085
Echinococcus granulosus CAAX prenyl protease 2 0.0093 0.0082 0.5968
Mycobacterium ulcerans integral membrane protein 0.0019 0.0003 0.0003
Schistosoma mansoni caspase-7 (C14 family) 0.0026 0.001 0.001
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.003 0.0513
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0015 0.084
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0124 0.0113 0.0366
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.003 0.8945
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.002 0.1469
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.001 0.289
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.0293 1
Leishmania major small ubiquitin protein, putative 0.003 0.0015 0.05
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0015 0.0018
Echinococcus granulosus caspase 8 0.0026 0.001 0.0762
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0027 0.0913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0015 0.1042
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0015 0.05
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0124 0.0113 0.8043
Schistosoma mansoni nuclear hormone receptor 0.003 0.0015 0.0015
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0015 0.1042
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.0293 1
Giardia lamblia Sentrin 0.003 0.0015 0.0837
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0027 0.0913
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.001 0.0166
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0015 0.0015
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0106 0.0106
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0015 0.084
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0033 0.2417
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Plasmodium falciparum metacaspase-like protein 0.0026 0.001 0.3287
Loa Loa (eye worm) SMO-1 protein 0.003 0.0015 0.0018
Entamoeba histolytica ubiquitin like protein 0.003 0.0015 0.0194
Echinococcus multilocularis caspase 8 0.0026 0.001 0.0738
Toxoplasma gondii thioredoxin reductase 0.0046 0.0032 0.9559
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.001 0.0327
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0032 0.2317
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0015 0.084
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0015 0.084
Schistosoma mansoni hypothetical protein 0.003 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0056 0.0042 0.0115
Plasmodium falciparum metacaspase 1 0.0026 0.001 0.3287
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.003 0.0513
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.001 0.0356
Echinococcus multilocularis caspase 2 0.0056 0.0042 0.2982
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0015 0.1075
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.001 0.3024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0015 0.084
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.003 0.8945
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0015 0.1042
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.0141 0.8066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0015 0.0018
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0027 0.0913
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0094 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Leishmania major hypothetical protein, conserved 0.0056 0.0042 0.1445
Brugia malayi CAAX amino terminal protease family protein 0.0093 0.0082 0.4663
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0019 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0035 0.002 0.0289
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0015 0.084
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0015 0.1075
Trypanosoma brucei metacaspase 5, putative 0.0026 0.001 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Echinococcus granulosus caspase 2 0.0056 0.0042 0.3079
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0042 0.0733
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Trypanosoma cruzi small ubiquitin protein, putative 0.003 0.0015 0.05
Schistosoma mansoni hypothetical protein 0.0035 0.002 0.002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0015 0.0015
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0042 0.0733
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0124 0.0113 0.8303
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0027 0.0913
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0033 0.1889
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0026 0.8137
Trypanosoma brucei metacaspase 0.0026 0.001 0.0356
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.001 0.001
Echinococcus multilocularis caspase 0.0026 0.001 0.0738
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0182 0.0175 0.0583
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.9523 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0015 0.0018
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0106 0.0106
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.0175 0.303
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0042 0.1445
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0026 0.001 0.0738
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0003 0.0003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0015 0.1075
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0093 0.0082 0.2786
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0015 0.0018
Mycobacterium ulcerans hypothetical protein 0.0019 0.0003 0.0003
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0015 0.1042
Mycobacterium tuberculosis Probable integral membrane protein 0.0019 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0035 0.002 0.0289
Brugia malayi nuclear hormone receptor 0.003 0.0015 0.084
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0015 0.0015
Echinococcus granulosus Small ubiquitin modifier 2 0.003 0.0015 0.1072
Schistosoma mansoni coup transcription factor 0.003 0.0015 0.0015
Plasmodium falciparum thioredoxin reductase 0.0046 0.0032 1
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.001 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0015 0.084
Brugia malayi ecdysteroid receptor 0.003 0.0015 0.084
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0094 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0015 0.084
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.0175 0.303
Onchocerca volvulus 0.003 0.0015 0.0011
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.0175 0.303
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0015 0.084
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0015 0.084
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0294 0.0293 1
Brugia malayi nuclear receptor NHR-88 0.003 0.0015 0.084
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0094 0.0094
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0182 0.0175 1
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.001 0.0547
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0033 0.0083
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0093 0.0082 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0033 0.2417
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0015 0.084
Echinococcus multilocularis apoptotic protease activating factor 1 0.003 0.0015 0.1054
Loa Loa (eye worm) hypothetical protein 0.0093 0.0082 0.0254
Leishmania major trypanothione reductase 0.0046 0.0032 0.1082
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.001 0.0701
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.001 0.0327
Trypanosoma cruzi metacaspase, putative 0.0026 0.001 0.0356
Toxoplasma gondii hypothetical protein 0.0019 0.0003 0.1057
Brugia malayi hypothetical protein 0.0035 0.002 0.1148
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0026 0.1473
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0015 0.0018
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0015 0.1042
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0019 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0033 0.2341
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0032 0.0032
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.001 0.3142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0033 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.002 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0015 0.1075
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Onchocerca volvulus Cell death protein 3 homolog 0.0056 0.0042 0.1709
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0015 0.0015
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0026 0.001 0.001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Plasmodium vivax small ubiquitin-related modifier, putative 0.003 0.0015 0.4625
Echinococcus granulosus FTZ F1 alpha 0.003 0.0015 0.1075
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0015 0.1075
Mycobacterium tuberculosis Probable reductase 0.0105 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0033 0.0033
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0146 0.0146
Schistosoma mansoni caspase-7 (C14 family) 0.0056 0.0042 0.0042
Brugia malayi Ubiquitin-like protein SMT3 0.003 0.0015 0.0837
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0015 0.084
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0032 0.0078
Entamoeba histolytica hypothetical protein 0.0035 0.002 0.0289
Toxoplasma gondii small ubiquitin family modifier, putative 0.003 0.0015 0.4421
Plasmodium falciparum glutathione reductase 0.0046 0.0032 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.001 0.3142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0033 0.0033
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0094 0.0094
Brugia malayi Cell death protein 3 precursor 0.0056 0.0042 0.2406
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Echinococcus granulosus caspase 0.0026 0.001 0.0762
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.0137 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.003 0.9358
Trypanosoma brucei small ubiquitin-related modifier 0.003 0.0015 0.05
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.001 0.0547
Trypanosoma cruzi metacaspase, putative 0.0026 0.001 0.0356
Trypanosoma brucei metacaspase MCA3 0.0026 0.001 0.0356
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0015 0.0015
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0094 0.0094
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0015 0.1042
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0182 0.0175 0.0175
Loa Loa (eye worm) twinkle helicase 0.2721 0.2845 1
Echinococcus multilocularis Small ubiquitin modifier 2 0.003 0.0015 0.1038
Brugia malayi glutathione reductase 0.0046 0.0032 0.1811
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0036 0.1238
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0015 0.084
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0032 0.1082
Plasmodium vivax protease, putative 0.0019 0.0003 0.1106
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.001 0.001
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0124 0.0113 0.8303
Trypanosoma cruzi metacaspase, putative 0.0026 0.001 0.0356
Brugia malayi steroid hormone receptor 0.003 0.0015 0.084
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0015 0.0015
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0042 0.1445
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0015 0.084
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.0116 0.0116
Brugia malayi Thioredoxin reductase 0.0046 0.0032 0.1811
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.003 0.0015 0.0015
Toxoplasma gondii CAAX amino terminal protease family protein 0.0019 0.0003 0.1057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0015 0.084
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0182 0.0175 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0015 0.1042
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.013 0.4431
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0032 0.2245
Plasmodium falciparum protease, putative 0.0019 0.0003 0.1106
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.001 0.018
Leishmania major metacaspase, putative 0.0026 0.001 0.0356
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0032 1
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0015 0.0015
Loa Loa (eye worm) acetyltransferase 0.015 0.0141 0.0464
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0015 0.1075
Trypanosoma brucei Metacaspase-4 0.0026 0.001 0.0356
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0093 0.0082 0.2786
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0124 0.0113 0.8043
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.0175 0.303
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0015 0.1075
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0124 0.0113 0.6488
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0015 0.084
Giardia lamblia Hypothetical protein 0.0093 0.0082 0.4663
Schistosoma mansoni hypothetical protein 0.0024 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0026 0.001 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0015 0.0018
Onchocerca volvulus 0.0182 0.0175 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Trichomonas vaginalis chaperonin, putative 0.0025 0.001 0.0166
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0093 0.0082 0.2786
Trypanosoma brucei CAAX amino terminal protease, putative 0.0093 0.0082 0.2786
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0093 0.0082 0.1413
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0093 0.0082 0.0082
Entamoeba histolytica hypothetical protein 0.0035 0.002 0.0289
Plasmodium vivax metacaspase 1, putative 0.0026 0.001 0.3287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0015 0.1042
Treponema pallidum hypothetical protein 0.0019 0.0003 0.0003
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.9523 1 1
Plasmodium vivax hypothetical protein, conserved 0.0026 0.001 0.3287
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.002 0.1423
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0026 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0015 0.0254
Trypanosoma brucei metacaspase MCA2 0.0026 0.001 0.0356
Toxoplasma gondii hypothetical protein 0.0019 0.0003 0.1057
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.001 0.001
Mycobacterium ulcerans hypothetical protein 0.0019 0.0003 0.0003
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.001 0.0106
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0026 0.001 0.0762
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0015 0.0015
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0015 0.1075
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.001 0.0356
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0026 0.001 0.0595
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0015 0.0018
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.001 0.3024
Mycobacterium ulcerans hypothetical protein 0.0155 0.0146 0.0146
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0042 0.1445
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0018
Toxoplasma gondii hypothetical protein 0.0047 0.0033 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.0175 0.303
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.013 0.4431
Treponema pallidum replicative DNA helicase (dnaB) 0.9523 1 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0124 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0015 0.0018
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.0141 0.0141
Trypanosoma cruzi metacaspase, putative 0.0026 0.001 0.0356
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0106 0.0012
Schistosoma mansoni Replicative DNA helicase 0.9523 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.013 0.4431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0033 0.2341
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.0175 0.2987
Loa Loa (eye worm) hypothetical protein 0.003 0.0015 0.0019
Schistosoma mansoni thyroid hormone receptor 0.003 0.0015 0.0015
Chlamydia trachomatis hypothetical protein 0.0019 0.0003 0.0003
Schistosoma mansoni caspase-3 (C14 family) 0.0026 0.001 0.001
Loa Loa (eye worm) glutathione reductase 0.0046 0.0032 0.0078
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0565 0.0577 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.001 0.3142
Echinococcus granulosus apoptotic protease activating factor 1 0.003 0.0015 0.1088
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.001 0.0679
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.9523 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.001 0.018
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0565 0.0577 1
Mycobacterium ulcerans replicative DNA helicase DnaB 0.9523 1 1
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.001 0.0327
Echinococcus multilocularis CAAX prenyl protease 2 0.0093 0.0082 0.5781

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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