Detailed information for compound 1215303

Basic information

Technical information
  • TDR Targets ID: 1215303
  • Name: 4-(thietan-3-yloxy)benzoic acid
  • MW: 210.25 | Formula: C10H10O3S
  • H donors: 1 H acceptors: 2 LogP: 1.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)OC1CSC1
  • InChi: 1S/C10H10O3S/c11-10(12)7-1-3-8(4-2-7)13-9-5-14-6-9/h1-4,9H,5-6H2,(H,11,12)
  • InChiKey: NAPVXVIZWXEVBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-thietanyloxy)benzoic acid
  • MLS000108717
  • SMR000104670
  • Oprea1_742778
  • 4-(Thietan-3-yloxy)-benzoic acid
  • BAS 01984694
  • ChemDiv3_004524
  • Oprea1_580375
  • IDI1_022434
  • SBB011249

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 6 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SUMO/sentrin specific peptidase family member 8 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K08597 sentrin-specific protease 8, putative Get druggable targets OG5_129942 All targets in OG5_129942
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis Sentrin-specific protease, putative Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) Ulp1 protease Get druggable targets OG5_129942 All targets in OG5_129942
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Plasmodium falciparum sentrin-specific protease 1 SUMO/sentrin specific peptidase family member 8 212 aa 197 aa 23.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.3724 0.2391
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0031 0.1751 0.1751
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.3724 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Echinococcus granulosus intermediate filament protein 0.0033 0.193 0.0218
Loa Loa (eye worm) Ulp1 protease 0.0031 0.1751 0.1751
Schistosoma mansoni DNA polymerase eta 0.0077 0.7651 0.7152
Brugia malayi TAR-binding protein 0.0076 0.7539 0.7539
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.3724 0.3344
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.3467 0.2081
Echinococcus multilocularis musashi 0.0033 0.193 0.0218
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7539 0.7017
Loa Loa (eye worm) hypothetical protein 0.0032 0.1854 0.1854
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.3724 0.2391
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3467 0.2909
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0031 0.1751 0.5
Brugia malayi intermediate filament protein 0.0033 0.193 0.193
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0096 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.3724 0.2391
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Schistosoma mansoni inositol monophosphatase 0.0045 0.3467 0.2081
Echinococcus granulosus tar DNA binding protein 0.0076 0.7539 0.7017
Schistosoma mansoni lamin 0.0033 0.193 0.0218
Loa Loa (eye worm) hypothetical protein 0.0077 0.7651 0.7651
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.3547 0.2178
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.3724 1
Plasmodium vivax sentrin-specific protease 1, putative 0.0031 0.1751 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Loa Loa (eye worm) hypothetical protein 0.0031 0.1751 0.1751
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3467 0.2081
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.7539 0.7539
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.3467 0.9556
Echinococcus granulosus dna polymerase kappa 0.0047 0.3724 0.2391
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1877 0.0213
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3467 0.2909
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.3467 0.5
Giardia lamblia DINP protein human, muc B family 0.0047 0.3724 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0096 1 1
Leishmania major DNA polymerase eta, putative 0.0045 0.3547 0.3045
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.3547 1
Brugia malayi Inositol-1 0.0045 0.3467 0.3467
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.3724 0.2391
Trypanosoma cruzi hypothetical protein 0.0096 1 1
Echinococcus granulosus dna polymerase eta 0.0077 0.7651 0.7152
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Leishmania major DNA polymerase eta, putative 0.0077 0.7651 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.3467 0.2081
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.3467 0.2081
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Echinococcus granulosus sentrin specific protease 8 0.0096 1 1
Leishmania major DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.3724 0.2391
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.3724 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Echinococcus granulosus lamin dm0 0.0033 0.193 0.0218
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.3724 0.2391
Loa Loa (eye worm) hypothetical protein 0.0031 0.1751 0.1751
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.3467 0.2081
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.7651 0.7152
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.3724 0.2391
Echinococcus multilocularis lamin 0.0033 0.193 0.0218
Trypanosoma brucei unspecified product 0.0047 0.3724 0.3344
Loa Loa (eye worm) TAR-binding protein 0.0076 0.7539 0.7539
Echinococcus multilocularis tar DNA binding protein 0.0076 0.7539 0.7017
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.7651 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1751 0.1751
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.3724 0.3344
Echinococcus multilocularis dna polymerase eta 0.0077 0.7651 0.7152
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1877 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.3467 0.2081
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.3467 0.2081
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.7539 0.7539
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Onchocerca volvulus 0.0033 0.193 1
Echinococcus multilocularis dna polymerase kappa 0.0047 0.3724 0.2391
Echinococcus multilocularis lamin dm0 0.0033 0.193 0.0218
Trypanosoma brucei unspecified product 0.0032 0.1877 0.0213
Loa Loa (eye worm) RNA binding protein 0.0076 0.7539 0.7539
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7539 0.7017
Loa Loa (eye worm) intermediate filament protein 0.0033 0.193 0.193
Schistosoma mansoni inositol monophosphatase 0.0045 0.3467 0.2081
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.3724 0.3344
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7539 0.7017
Loa Loa (eye worm) Ulp1 protease 0.0096 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.3724 0.2391
Schistosoma mansoni intermediate filament proteins 0.0033 0.193 0.0218
Loa Loa (eye worm) inositol-1 0.0045 0.3467 0.3467
Echinococcus multilocularis sentrin specific protease 8 0.0096 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.3724 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.193 0.193
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1877 0.0213
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7539 0.7017
Brugia malayi RNA binding protein 0.0076 0.7539 0.7539
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0096 1 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.2871 0.5
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0031 0.1751 0.1751
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.3724 0.3344
Schistosoma mansoni lamin 0.0033 0.193 0.0218
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0096 1 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0096 1 1
Onchocerca volvulus 0.0033 0.193 1
Plasmodium falciparum sentrin-specific protease 1 0.0031 0.1751 0.5
Trypanosoma brucei unspecified product 0.0032 0.1877 0.0213
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7539 0.7017
Echinococcus granulosus lamin 0.0033 0.193 0.0218
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0031 0.1751 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.3724 0.2391
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.3724 0.3344
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.3724 0.3724
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0031 0.1751 0.1751
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.3724 0.2391
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.3467 0.2081
Plasmodium vivax sentrin-specific protease 2, putative 0.0031 0.1751 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.193 0.193
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.3724 0.2391
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.3724 0.3724
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.7651 0.7651
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.193 0.193

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.43 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575, AID2582, AID434986] ChEMBL. No reference
IC50 (functional) = 13 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2575, AID2582, AID2599] ChEMBL. No reference
IC50 (functional) = 18.7 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2582, AID2599] ChEMBL. No reference
IC50 (functional) = 30 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575] ChEMBL. No reference
IC50 (functional) = 94.9 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
Potency (functional) = 0.0501 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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