Detailed information for compound 1216163

Basic information

Technical information
  • TDR Targets ID: 1216163
  • Name: (E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2- yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
  • MW: 348.372 | Formula: C15H9FN2O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nnc(o1)S/C(=C/c1cccs1)/C(=O)O
  • InChi: 1S/C15H9FN2O3S2/c16-10-5-3-9(4-6-10)13-17-18-15(21-13)23-12(14(19)20)8-11-2-1-7-22-11/h1-8H,(H,19,20)/b12-8+
  • InChiKey: LWJYWEHKTWJUPP-XYOKQWHBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
  • (E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(2-thienyl)prop-2-enoic acid
  • 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(2-thienyl)prop-2-enoic acid
  • (E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-(2-thienyl)prop-2-enoic acid
  • 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-(2-thienyl)prop-2-enoic acid
  • 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-(2-thienyl)acrylic acid
  • (E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-(2-thienyl)acrylic acid
  • 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-yl-prop-2-enoic acid
  • (E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-yl-prop-2-enoic acid
  • T0520-3950
  • MLS000774723
  • SMR000372482

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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 granulosus nuclear receptor 2DBD gamma 0.0011 0.0026 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Brugia malayi Probable ClpP-like protease 0.0085 0.0594 0.4843
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0026 0.0136
Brugia malayi Matrixin family protein 0.0064 0.0433 0.351
Echinococcus granulosus methylthioadenosine phosphorylase 0.0034 0.0206 0.02
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Schistosoma mansoni cpg binding protein 0.0035 0.0214 0.0329
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0131 0.0953 0.0948
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0167 0.1402
Treponema pallidum pfs protein (pfs) 0.0034 0.0206 0.3163
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0166 0.2473
Loa Loa (eye worm) hypothetical protein 0.0054 0.0358 0.3106
Schistosoma mansoni hypothetical protein 0.0017 0.0073 0.0106
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0026 0.002
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0103 0.0153
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0034 0.0206 0.0925
Schistosoma mansoni uridine phosphorylase 0.0034 0.0206 0.0315
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0369 0.0364
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0103 0.2653
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0026 0.0032
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0103 0.2653
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0369 0.0269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0026 0.0147
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0064 0.0433 0.0674
Loa Loa (eye worm) uridine phosphorylase 0.0034 0.0206 0.175
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0034 0.0206 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0358 0.2883
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0167 0.1402
Mycobacterium leprae probable uridine phosphorylase 0.0034 0.0206 0.015
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0026 0.002
Brugia malayi Matrixin family protein 0.0064 0.0433 0.351
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0026 0.0147
Echinococcus multilocularis geminin 0.0205 0.1516 0.1511
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0026 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Schistosoma mansoni purine nucleoside phosphorylase 0.0166 0.1217 0.1909
Loa Loa (eye worm) hypothetical protein 0.0017 0.0073 0.0569
Loa Loa (eye worm) hypothetical protein 0.0078 0.054 0.4737
Brugia malayi Matrixin family protein 0.0155 0.113 0.9283
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0107 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0094 0.0663 0.1036
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0026 0.002
Loa Loa (eye worm) hypothetical protein 0.0131 0.0953 0.8416
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0026 0.0147
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0073 0.0068
Echinococcus granulosus uridine phosphorylase 1 0.0034 0.0206 0.02
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.005 0.0045
Schistosoma mansoni smad1 5 8 and 0.0009 0.0009 0.0006
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0009 0.0006
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0107 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0026 0.0136
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0034 0.0206 0.02
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0026 0.0136
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0204 0.6161
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0026 0.0136
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0034 0.0206 1
Onchocerca volvulus Matrilysin homolog 0.0142 0.1032 0.8448
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.002 0.009
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0034 0.0206 0.0104
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.0594 0.0589
Schistosoma mansoni hypothetical protein 0.0205 0.1516 0.2379
Echinococcus multilocularis cpg binding protein 0.0035 0.0214 0.0209
Onchocerca volvulus 0.0029 0.0167 0.1181
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0026 0.0032
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0026 0.002
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 1
Schistosoma mansoni DNA helicase recq1 0.0022 0.0107 0.016
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0009 0.0004
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0103 0.437
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0206 0.169
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0315 1
Echinococcus multilocularis smad 0.0009 0.0009 0.0004
Schistosoma mansoni hypothetical protein 0.0091 0.0639 0.0998
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0034 0.0206 0.6214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0323 0.0501
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0034 0.0206 0.6214
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0107 0.087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0034 0.0206 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0026 0.0136
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0034 0.0206 1
Echinococcus granulosus GPCR family 2 0.0017 0.0073 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Schistosoma mansoni hypothetical protein 0.0017 0.0073 0.0106
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0034 0.0206 0.6214
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0078 0.054 0.4397
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0103 0.0153
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0073 0.0569
Schistosoma mansoni lamin 0.0029 0.0167 0.0254
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0103 0.2653
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0026 0.002
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0026 0.002
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0103 0.0843
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0107 0.0101
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0034 0.0206 0.6214
Echinococcus multilocularis uridine phosphorylase 1 0.0034 0.0206 0.02
Schistosoma mansoni cpg binding protein 0.0035 0.0214 0.0329
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0034 0.0206 0.3163
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Loa Loa (eye worm) hypothetical protein 0.0037 0.0226 0.1932
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0026 0.002
Echinococcus multilocularis dna polymerase eta 0.0049 0.0315 0.031
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0369 0.2781 0.2706
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0062 0.0436
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0062 0.047
Schistosoma mansoni methylthioadenosine phosphorylase 0.0034 0.0206 0.0315
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Brugia malayi ecdysteroid receptor 0.0011 0.0026 0.0136
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0073 0.0068
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0489 0.0761
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0358 0.3106
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0026 0.0032
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0103 0.0772
Echinococcus multilocularis purine nucleoside phosphorylase 0.0131 0.0953 0.0948
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0107 0.0808
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0026 0.002
Brugia malayi nuclear hormone receptor 0.0011 0.0026 0.0136
Toxoplasma gondii phosphorylase family protein 0.0034 0.0206 0.3202
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Echinococcus multilocularis thymidine phosphorylase 0.1308 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0026 0.002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 0.0497
Schistosoma mansoni hypothetical protein 0.0017 0.0073 0.0106
Brugia malayi Matrixin family protein 0.0064 0.0433 0.351
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0938 0.8283
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0107 0.0808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0323 0.0318
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1308 1 1
Leishmania major nucleoside phosphorylase-like protein 0.0034 0.0206 0.4846
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0009 0.0004
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0021 0.0016
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6352 0.6349
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0026 0.0136
Echinococcus granulosus Smad4 0.0009 0.0009 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0107 0.0101
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.0594 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0034 0.0206 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0323 0.0501
Trypanosoma brucei uridine phosphorylase 0.0034 0.0206 0.5828
Schistosoma mansoni smad 0.0009 0.0009 0.0006
Loa Loa (eye worm) histone methyltransferase 0.001 0.0021 0.0106
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0167 0.1302
Schistosoma mansoni methylthioadenosine phosphorylase 0.0034 0.0206 0.0315
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0206 0.169
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0026 0.002
Mycobacterium tuberculosis Hypothetical protein 0.0034 0.0206 0.0104
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0034 0.0206 0.5828
Loa Loa (eye worm) matrixin family protein 0.0155 0.113 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0166 0.1217 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 0.5
Loa Loa (eye worm) RecQ helicase 0.0022 0.0107 0.087
Brugia malayi intermediate filament protein 0.0029 0.0167 0.1302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0026 0.0147
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0034 0.0206 0.6214
Echinococcus granulosus bloom syndrome protein 0.0022 0.0107 0.0101
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0034 0.0206 0.0925
Toxoplasma gondii Purine nucleoside phosphorylase 0.0034 0.0206 0.3202
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0026 0.002
Schistosoma mansoni coup transcription factor 0.0011 0.0026 0.0032
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0103 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0103 0.1904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0323 0.0318
Onchocerca volvulus Matrix metalloproteinase homolog 0.0142 0.1032 0.8448
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0103 0.0843
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Brugia malayi CXXC zinc finger family protein 0.0034 0.02 0.1574
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0026 0.0032
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0369 0.0364
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0107 0.1475
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0026 0.0136
Leishmania major DNA polymerase eta, putative 0.0034 0.0204 0.4775
Brugia malayi steroid hormone receptor 0.0011 0.0026 0.0136
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0026 0.0056
Schistosoma mansoni DNA polymerase eta 0.0049 0.0315 0.0488
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0107 0.1475
Schistosoma mansoni hypothetical protein 0.0037 0.0226 0.0347
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0369 0.0269
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0026 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0323 0.0318
Echinococcus granulosus dna polymerase eta 0.0049 0.0315 0.031
Entamoeba histolytica hypothetical protein 0.0034 0.0206 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0021 0.0016
Toxoplasma gondii phosphorylase family protein 0.0034 0.0206 0.3202
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0107 0.0101
Schistosoma mansoni lamin 0.0029 0.0167 0.0254
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Loa Loa (eye worm) hypothetical protein 0.0049 0.0315 0.2728
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0369 0.2781 0.2706
Echinococcus multilocularis lamin dm0 0.0029 0.0167 0.0161
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0369 0.0776
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 0.0497
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0166 0.1217 0.4018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0073 0.0068
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0023 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0026 0.002
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0166 0.1217 1
Schistosoma mansoni hypothetical protein 0.0205 0.1516 0.2379
Echinococcus granulosus lamin 0.0029 0.0167 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0026 0.0147
Echinococcus granulosus intermediate filament protein 0.0029 0.0167 0.0161
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0323 0.28
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0009 0.0004
Schistosoma mansoni DNA helicase recq5 0.0022 0.0107 0.016
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0146
Mycobacterium tuberculosis Conserved hypothetical protein 0.0034 0.0206 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0026 0.0136
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0026 0.002
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0107 0.0879
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Giardia lamblia UPL-1 0.0034 0.0206 0.0925
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.005 0.0045
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Onchocerca volvulus Matrilysin homolog 0.0064 0.0433 0.342
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0146
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0166 0.122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0103 0.1904
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0026 0.0147
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0026 0.0032
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.0107 0.0039
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0107 0.0101
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0026 0.0175
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0107 0.0879
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0166 0.2515
Schistosoma mansoni cpg binding protein 0.0034 0.02 0.0305
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.0594 0.1636
Schistosoma mansoni methylthioadenosine phosphorylase 0.0034 0.0206 0.0315
Schistosoma mansoni uridine phosphorylase 0.0034 0.0206 0.0315
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0107 0.0808
Plasmodium falciparum purine nucleoside phosphorylase 0.0034 0.0206 0.2026
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0026 0.0032
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.0594 1
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0107 0.4607
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0026 0.0136
Trypanosoma brucei unspecified product 0.0021 0.0103 0.1904
Mycobacterium leprae PROBABLE HYDROLASE 0.0078 0.054 0.143
Loa Loa (eye worm) hypothetical protein 0.0014 0.0046 0.0327
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0034 0.0206 0.175
Loa Loa (eye worm) hypothetical protein 0.0064 0.0433 0.3781
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0369 0.2781 1
Echinococcus granulosus geminin 0.0205 0.1516 0.1511
Brugia malayi Hemopexin family protein 0.0091 0.0639 0.5211
Schistosoma mansoni smad1 5 8 and 0.0009 0.0009 0.0006
Loa Loa (eye worm) hypothetical protein 0.0014 0.0046 0.0327
Loa Loa (eye worm) hypothetical protein 0.0022 0.0107 0.087
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6352 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0026 0.0147
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0226 0.1793
Echinococcus granulosus cpg binding protein 0.0035 0.0214 0.0209
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.0594 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0073 0.0528
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.02 0.1696
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0034 0.0206 0.0104
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0204 0.3175
Onchocerca volvulus 0.0029 0.0167 0.1181
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0323 0.0501
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0166 0.1217 0.1126
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Echinococcus multilocularis dnaJ subfamily B 0.0478 0.3615 0.3612
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0026 0.0032
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0103 0.0097
Schistosoma mansoni hypothetical protein 0.0017 0.0073 0.0106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0358 0.2883
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0166 0.1217 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.043 0.7132
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0107 0.2803
Leishmania major methylthioadenosine phosphorylase, putative 0.0034 0.0206 0.4846
Brugia malayi nuclear receptor NHR-88 0.0011 0.0026 0.0136
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Echinococcus multilocularis Smad4 0.0009 0.0009 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0026 0.0136
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0938 0.8283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0026 0.0147
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0026 0.0032
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.0315 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0026 0.0136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0073 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0103 0.2653
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0103 0.0097
Onchocerca volvulus 0.0064 0.0433 0.342
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0000000000682 0.00000000056044
Echinococcus multilocularis musashi 0.0029 0.0167 0.0161
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0026 0.002
Echinococcus granulosus purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Loa Loa (eye worm) matrixin family protein 0.0142 0.1032 0.9123
Onchocerca volvulus 0.0034 0.02 0.1458
Echinococcus multilocularis lamin 0.0029 0.0167 0.0161
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0107 0.2069
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0073 0.0528
Loa Loa (eye worm) hypothetical protein 0.0029 0.0162 0.1366
Schistosoma mansoni hypothetical protein 0.0478 0.3615 0.5688
Loa Loa (eye worm) hypothetical protein 0.0085 0.0594 0.5217
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0026 0.0032
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Echinococcus granulosus lamin dm0 0.0029 0.0167 0.0161
Echinococcus multilocularis purine nucleoside phosphorylase 0.0131 0.0953 0.0948
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0594 1
Schistosoma mansoni Smad4 0.0009 0.0009 0.0006
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.0315 0.2532
Brugia malayi MH2 domain containing protein 0.013 0.0938 0.7689
Loa Loa (eye worm) hypothetical protein 0.0029 0.0167 0.1402
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0034 0.0206 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Schistosoma mansoni smad1 5 8 and 0.0009 0.0009 0.0006
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.0594 0.0589
Echinococcus granulosus dnaJ subfamily B 0.0478 0.3615 0.3612
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0103 0.1904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0323 0.0318
Brugia malayi uridine phosphorylase family protein 0.0034 0.0206 0.1625
Leishmania major DNA polymerase eta, putative 0.0049 0.0315 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0034 0.0206 0.0104
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0026 0.0032
Schistosoma mansoni intermediate filament proteins 0.0029 0.0167 0.0254
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0232 0.1729 0.1724
Loa Loa (eye worm) hypothetical protein 0.0064 0.0433 0.3781
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0026 0.0032
Treponema pallidum uridine phosphorylase (udp) 0.0034 0.0206 0.3163
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0034 0.0206 0.3202
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0323 0.2599
Echinococcus multilocularis GPCR, family 2 0.0017 0.0073 0.0068
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0026 0.0056
Echinococcus granulosus smad 0.0009 0.0009 0.0004
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0078 0.054 0.0442
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.0594 0.0927
Brugia malayi Matrixin family protein 0.0064 0.0433 0.351
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0026 0.002
Loa Loa (eye worm) hypothetical protein 0.0064 0.0433 0.3781
Mycobacterium ulcerans thymidine phosphorylase 0.1308 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0166 0.1217 1
Mycobacterium ulcerans hydrolase 0.0078 0.054 0.0442
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0232 0.1729 0.1724
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Onchocerca volvulus 0.0091 0.0639 0.5145
Schistosoma mansoni purine nucleoside phosphorylase 0.0166 0.1217 0.1909
Echinococcus granulosus dna polymerase kappa 0.0021 0.0103 0.0097
Loa Loa (eye worm) matrix metalloproteinase 0.0064 0.0433 0.3781
Brugia malayi MTAP 0.0034 0.0206 0.1625
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0166 0.1217 0.1126
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0026 0.0136
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0034 0.0206 0.169
Toxoplasma gondii hypothetical protein 0.0029 0.0166 0.2515
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6352 0.6349
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0103 0.0097
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0107 0.0879
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0009 0.0004
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0026 0.0136
Echinococcus multilocularis purine nucleoside phosphorylase 0.0166 0.1217 0.1212
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0026 0.0032
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0026 0.0032
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0103 0.0831
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0026 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0026 0.0136
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0026 0.002

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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 0.1585 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 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

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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