Detailed information for compound 1391713

Basic information

Technical information
  • TDR Targets ID: 1391713
  • Name: 5-chloro-3-[2-[4-(furan-2-carbonyl)piperazin- 1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
  • MW: 415.827 | Formula: C20H18ClN3O5
  • H donors: 2 H acceptors: 4 LogP: 2.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(CC(=O)N1CCN(CC1)C(=O)c1ccco1)c([nH]2)C(=O)O
  • InChi: 1S/C20H18ClN3O5/c21-12-3-4-15-13(10-12)14(18(22-15)20(27)28)11-17(25)23-5-7-24(8-6-23)19(26)16-2-1-9-29-16/h1-4,9-10,22H,5-8,11H2,(H,27,28)
  • InChiKey: VVANYOLQKNPMHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid
  • 5-chloro-3-[2-[4-(2-furyl-oxomethyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid
  • 5-chloro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-keto-ethyl]-1H-indole-2-carboxylic acid
  • 5-chloro-3-[2-(4-furan-2-ylcarbonylpiperazin-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylic acid
  • EU-0025107
  • 5-chloro-3-{2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
  • MLS000091122
  • SMR000025684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana 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
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative 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
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
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
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4554 0.4515
Plasmodium falciparum DNA repair protein REV1, putative 0.0014 0.0071 0.1851
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Giardia lamblia DNA damage repair protein 0.0014 0.0071 0.0722
Leishmania major DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.021 0.158
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0071 0.0533
Loa Loa (eye worm) hypothetical protein 0.0146 0.3797 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1921 1
Giardia lamblia DINP protein human, muc B family 0.0047 0.0982 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.0982 0.5113
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.01 0.0029
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0216 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.0982 0.4846
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0982 0.0918
Loa Loa (eye worm) hypothetical protein 0.0077 0.1854 0.4883
Loa Loa (eye worm) hypothetical protein 0.0014 0.0071 0.0187
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.0982 0.0918
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1921 0.5058
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0483 0.2513
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0483 0.4338
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1921 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.0982 0.5113
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1921 0.1863
Toxoplasma gondii hypothetical protein 0.0059 0.1328 1
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.1854 0.9654
Trypanosoma brucei unspecified product 0.0047 0.0982 0.0918
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1115 0.1051
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0014 0.0071 0.0533
Echinococcus multilocularis dna polymerase eta 0.0077 0.1854 0.9654
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Leishmania major DNA polymerase eta, putative 0.0045 0.0943 0.0878
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4554 0.4515
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.0982 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.01 0.0029
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.1854 0.1796
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.031 0.1612
Leishmania major DNA polymerase eta, putative 0.0077 0.1854 0.1796
Echinococcus granulosus dna polymerase eta 0.0077 0.1854 0.9654
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0982 0.0918
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0000000001545 0.0000000011631
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1921 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5107 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0572 0.0505
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0572 0.0505
Trypanosoma brucei unspecified product 0.0032 0.0572 0.0505
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4554 0.4515
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0572 0.0505
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0943 0.7098
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1115 0.1051
Trypanosoma brucei unspecified product 0.0032 0.0572 0.0505
Echinococcus granulosus bloom syndrome protein 0.0029 0.0483 0.2513
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.1854 0.1796
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1115 0.1051
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0969 0.5044
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1921 0.1863
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Brugia malayi polk-prov protein 0.0014 0.0071 0.0369
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.0982 0.5113
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0982 0.5113
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1921 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.0982 0.2586
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0969 0.5044
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0943 0.0878
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1921 0.1863
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.0982 0.5113
Loa Loa (eye worm) RecQ helicase 0.0029 0.0483 0.1271
Echinococcus multilocularis dna polymerase kappa 0.0047 0.0982 0.5113
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0982 0.1809
Mycobacterium ulcerans hypothetical protein 0.0192 0.5107 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.01 0.0029
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0483 0.2513
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0982 0.0918
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1433 0.1371
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0383 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Schistosoma mansoni DNA polymerase eta 0.0077 0.1854 0.9654
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1921 0.1863
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0982 0.1809
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Echinococcus granulosus dna polymerase kappa 0.0047 0.0982 0.5113
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0982 0.0918
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.0982 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0483 0.4338
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1921 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1115 0.1051
Schistosoma mansoni DNA polymerase IV / kappa 0.0014 0.0071 0.0369

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 69.516 uM PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 30.1313 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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