Detailed information for compound 1121044

Basic information

Technical information
  • TDR Targets ID: 1121044
  • Name: 4-acetamido-N-(3-phenylsulfanylpropyl)benzami de
  • MW: 328.429 | Formula: C18H20N2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.94 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)C(=O)NCCCSc1ccccc1
  • InChi: 1S/C18H20N2O2S/c1-14(21)20-16-10-8-15(9-11-16)18(22)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13H2,1H3,(H,19,22)(H,20,21)
  • InChiKey: MVSFWCHEKWICQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-acetamido-N-[3-(phenylthio)propyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.1363 0.1363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0662 0.0671
Echinococcus multilocularis tar DNA binding protein 0.0128 0.4715 0.4715
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0662 0.0662
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.091
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.025 0.1183
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0662 0.0671
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.025 0.0292
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.0025 0.0308 0.0312
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0308 0.1512
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0043 0.0238
Mycobacterium ulcerans hypothetical protein 0.0025 0.0308 0.1512
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.1363 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.3617 0.3667
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Brugia malayi hypothetical protein 0.0249 0.9862 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0662 0.0671
Echinococcus multilocularis RUN 0.0042 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0662 0.0662
Echinococcus multilocularis geminin 0.0205 0.7966 0.7966
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0353 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.025 0.025
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0353 0.175
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1465 0.1486
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0662 0.0671
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0353 0.3069
Loa Loa (eye worm) hypothetical protein 0.0155 0.5871 0.5953
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.1054 0.1054
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0662 0.0662
Schistosoma mansoni hypothetical protein 0.0042 0.1061 0.1061
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.0662 0.1247
Schistosoma mansoni loxhd1 0.0042 0.1054 0.1054
Loa Loa (eye worm) doublecortin family protein 0.0042 0.1054 0.1069
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.1798 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0662 0.0662
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0662 0.0671
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.025 0.1183
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0308 0.0312
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0353 0.175
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0662 0.0671
Loa Loa (eye worm) hypothetical protein 0.0025 0.0308 0.0312
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0767 0.0778
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0353 0.1769
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.1129 0.1144
Schistosoma mansoni lipoxygenase 0.0252 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1363 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1129 0.8086
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.025 0.025
Brugia malayi RNA binding protein 0.0128 0.4715 0.4781
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0662 0.0671
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0662 0.0662
Schistosoma mansoni hypothetical protein 0.0205 0.7966 0.7966
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.4715 0.4781
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0662 0.0671
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0662 0.0662
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0353 0.3069
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1798 1
Onchocerca volvulus 0.0042 0.1054 0.2625
Echinococcus granulosus geminin 0.0205 0.7966 0.7966
Echinococcus multilocularis muscleblind protein 1 0.0155 0.5871 0.5871
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.025 0.0254
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.1363 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1798 0.1798
Brugia malayi hypothetical protein 0.0042 0.1054 0.1069
Schistosoma mansoni rab6-interacting 0.0042 0.1054 0.1054
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1363 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0662 0.0662
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.9862 0.9862
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.1054 0.1054
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.1363 1
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0662 0.0662
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.025 0.1393
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.025 0.0254
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0139 0.0951
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.091
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0662 0.0662
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0662 0.0671
Loa Loa (eye worm) RNA binding protein 0.0128 0.4715 0.4781
Onchocerca volvulus 0.0091 0.315 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.1054 0.1054
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.1363 0.1363
Loa Loa (eye worm) hypothetical protein 0.0102 0.3617 0.3667
Entamoeba histolytica hypothetical protein 0.011 0.395 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1054 0.1069
Echinococcus multilocularis protein patched 0.0044 0.1129 0.1129
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.3617 0.3617
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0662 0.0662
Echinococcus granulosus dna polymerase eta 0.0023 0.025 0.025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.0662 0.0662
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1465 0.1486
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.1054 1
Entamoeba histolytica hypothetical protein 0.011 0.395 1
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0662 0.0662
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0662 0.0671
Schistosoma mansoni hypothetical protein 0.0205 0.7966 0.7966
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0662 0.0671
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1798 0.1798
Brugia malayi hypothetical protein 0.011 0.395 0.4006
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.0042 0.1061 0.1061
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.9862 0.9862
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1421 0.1441
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0662 0.0671
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0662 0.0662
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0308 0.1512
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0662 0.0662
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0662 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Trypanosoma brucei unspecified product 0.0023 0.025 0.091
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4715 0.4715
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1465 0.1486
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.1054 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0662 0.0662
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4715 0.4715
Echinococcus multilocularis expressed conserved protein 0.0096 0.3352 0.3352
Brugia malayi Doublecortin family protein 0.0042 0.1054 0.1069
Entamoeba histolytica hypothetical protein 0.011 0.395 1
Schistosoma mansoni coup transcription factor 0.0033 0.0662 0.0662
Echinococcus granulosus RUN 0.0042 0.1054 0.1054
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.091
Brugia malayi Muscleblind-like protein 0.0155 0.5871 0.5953
Loa Loa (eye worm) hypothetical protein 0.0044 0.1129 0.1144
Brugia malayi nuclear hormone receptor 0.0033 0.0662 0.0671
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.1363 0.7379
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0662 0.0671
Onchocerca volvulus 0.0033 0.0662 0.1247
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0308 0.0312
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.3684 0.3684
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1363 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0353 0.1965
Entamoeba histolytica hypothetical protein 0.0026 0.0353 0.0562
Schistosoma mansoni hypothetical protein 0.0042 0.1054 0.1054
Schistosoma mansoni hypothetical protein 0.0042 0.1061 0.1061
Onchocerca volvulus 0.0042 0.1054 0.2625
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1363 0.1363
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0353 1
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0353 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0139 0.0548
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0308 0.1512
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0139 0.0951
Schistosoma mansoni ap endonuclease 0.0021 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.011 0.395 0.395
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1798 0.1798
Loa Loa (eye worm) hypothetical protein 0.0035 0.0767 0.0778
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.0662 0.1247
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.1363 0.1382
Schistosoma mansoni lipoxygenase 0.0176 0.6768 0.6768
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.315 0.315
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.1054 0.1054
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0308 0.1714
Loa Loa (eye worm) hypothetical protein 0.0042 0.1054 0.1069
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0308 0.0444
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0308 0.1019
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.025 0.091
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.091
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0139 0.0139
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.4715 0.4781
Brugia malayi MAP kinase sur-1 0.0049 0.1363 0.1382
Loa Loa (eye worm) hypothetical protein 0.0052 0.1465 0.1486
Loa Loa (eye worm) hypothetical protein 0.0054 0.155 0.1571
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.3617 0.3617
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.1363 0.7379
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.091
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1363 1
Echinococcus multilocularis protein dispatched 1 0.005 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0155 0.5871 0.5953
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.0662 0.1247
Schistosoma mansoni hypothetical protein 0.0035 0.0767 0.0767
Schistosoma mansoni ap endonuclease 0.0021 0.0139 0.0139
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0662 0.0662
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.1129 0.1129
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 0.5487 0.5487
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0662 0.0662
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0308 0.1512
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0662 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.1798 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0662 0.0662
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.1363 1
Brugia malayi nuclear receptor NHR-88 0.0033 0.0662 0.0671
Echinococcus granulosus dna polymerase kappa 0.0023 0.025 0.025
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0662 0.0671
Schistosoma mansoni polycystin 1-related 0.0042 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0662 0.0671
Entamoeba histolytica hypothetical protein 0.011 0.395 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0662 0.0671
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0139 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4715 0.4715
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.315 0.3194
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0662 0.0662
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0353 0.175
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0308 0.1512
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0308 0.0312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0139 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0662 0.0671
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0662 0.0662
Schistosoma mansoni hypothetical protein 0.0042 0.1061 0.1061
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0662 0.0662
Echinococcus granulosus Niemann Pick C1 protein 0.0146 0.5487 0.5487
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.025 0.0671
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0254
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.395 0.395
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0662 0.0662
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.1363 0.1363
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0662 0.0662
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0308 0.0444
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0139 0.0773
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0308 0.1714
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.315 0.315
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.1054 0.1054
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0308 0.1512
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.025 0.091
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0252 1 1
Echinococcus granulosus muscleblind protein 0.0155 0.5871 0.5871
Schistosoma mansoni rab6-interacting 0.0042 0.1054 0.1054
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.025 0.1393
Echinococcus granulosus expressed conserved protein 0.0096 0.3352 0.3352
Brugia malayi steroid hormone receptor 0.0033 0.0662 0.0671
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0353 0.1291
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.025 0.025
Brugia malayi CHE-14 protein 0.0044 0.1129 0.1144
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0662 0.0671
Leishmania major DNA polymerase kappa, putative 0.0023 0.025 0.0671
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.1129 0.1129
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1798 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0308 0.1512
Brugia malayi hypothetical protein 0.0042 0.1054 0.1069
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.1363 1
Leishmania major DNA polymerase eta, putative 0.0023 0.025 0.0671
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4715 0.4715
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.025 0.0254
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1627 0.165
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.1363 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.025 0.091
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.3617 0.9125
Loa Loa (eye worm) hypothetical protein 0.0025 0.0308 0.0312
Schistosoma mansoni patched 1 0.0044 0.1129 0.1129
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0662 0.0662
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0091 0.315 0.3194
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0308 0.1019
Schistosoma mansoni survival motor neuron protein 0.0051 0.1421 0.1421
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0662 0.0662
Onchocerca volvulus 0.0051 0.1421 0.3917
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Brugia malayi TAR-binding protein 0.0128 0.4715 0.4781
Loa Loa (eye worm) TAR-binding protein 0.0128 0.4715 0.4781
Schistosoma mansoni hypothetical protein 0.0051 0.1421 0.1421
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0662 0.0662
Brugia malayi follicle stimulating hormone receptor 0.0244 0.9644 0.9779
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0662 0.0671
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1798 0.1823
Echinococcus granulosus Protein patched homolog 1 0.0044 0.1129 0.1129
Echinococcus granulosus tar DNA binding protein 0.0128 0.4715 0.4715
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0353 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.9644 0.9779
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.1363 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0308 0.0444
Echinococcus multilocularis muscleblind protein 0.0155 0.5871 0.5871
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4715 0.4715
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0308 0.1019
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.091
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.1363 0.1363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0662 0.0671
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.091
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.315 0.315
Brugia malayi ecdysteroid receptor 0.0033 0.0662 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.1054 0.1054
Schistosoma mansoni transcription factor LCR-F1 0.011 0.395 0.395
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0662 0.0662
Trypanosoma brucei protein kinase, putative 0.0049 0.1363 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0662 0.0671
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.395 0.395
Echinococcus multilocularis dna polymerase eta 0.0023 0.025 0.025
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Schistosoma mansoni DNA polymerase eta 0.0023 0.025 0.025
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.025 0.091
Echinococcus multilocularis dna polymerase kappa 0.0023 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0662 0.0671
Loa Loa (eye worm) hypothetical protein 0.0249 0.9862 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0353 0.1769
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0662 0.0671
Giardia lamblia DINP protein human, muc B family 0.0023 0.025 0.091

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1458 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 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

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.
 
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.