Detailed information for compound 1876022

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.172 | Formula: C15H10Cl2N4O
  • H donors: 1 H acceptors: 3 LogP: 4.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)/N=C/c1cnn(c1O)c1cccc(n1)Cl
  • InChi: 1S/C15H10Cl2N4O/c16-11-4-6-12(7-5-11)18-8-10-9-19-21(15(10)22)14-3-1-2-13(17)20-14/h1-9,22H/b18-8+
  • InChiKey: NYQWAIXBCOZOLQ-QGMBQPNBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0006 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1335 1
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0005 0.0006 0.0048
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0073 0.0148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0005 0.0006 0.0048
Echinococcus multilocularis cpg binding protein 0.0037 0.0661 0.0661
Trichomonas vaginalis helicase, putative 0.0008 0.0073 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Schistosoma mansoni cpg binding protein 0.0037 0.0661 0.0661
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0377 0.2821
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.3104 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0006 0.0014
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0073 0.0148
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0005 0.0006 0.0048
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0377 0.2821
Echinococcus multilocularis deoxyribonuclease 1 2 0.0005 0.0006 0.0006
Trypanosoma cruzi mitochondrial protein 99, putative 0.0005 0.0006 0.0048
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.1335 0.2939
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0006 0.0014
Schistosoma mansoni nocturnin 0.0005 0.0006 0.0006
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0377 0.0819
Schistosoma mansoni synaptojanin 0.0005 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0377 0.2821
Trypanosoma cruzi mitochondrial protein 99, putative 0.0005 0.0006 0.0048
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0005 0.0006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0132 0.0132
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.4526 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1415 0.1415
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0005 0.0006 0.0048
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0377 0.0377
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Brugia malayi CXXC zinc finger family protein 0.0035 0.0621 0.1372
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0089 0.0089
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0005 0.0006 0.0048
Schistosoma mansoni hypothetical protein 0.0005 0.0006 0.0006
Echinococcus multilocularis synaptojanin 1 0.0005 0.0006 0.0006
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0005 0.0006 0.0006
Schistosoma mansoni synaptojanin 0.0005 0.0006 0.0006
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1255 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0377 0.0377
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.4526 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0377 0.0832
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.4526 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Schistosoma mansoni neutral sphingomyelinase 0.0005 0.0006 0.0006
Schistosoma mansoni cript-related 0.0005 0.0006 0.0006
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.4526 1
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0005 0.0006 0.0006
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0377 0.2821
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0377 0.0819
Echinococcus granulosus cpg binding protein 0.0037 0.0661 0.0661
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.4526 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0377 0.5
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0006 0.0014
Schistosoma mansoni cpg binding protein 0.0037 0.0661 0.0661
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0005 0.0006 0.0048
Echinococcus granulosus synaptojanin 1 0.0005 0.0006 0.0006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Mycobacterium tuberculosis Probable exported protein 0.0005 0.0006 0.002
Leishmania major hypothetical protein, conserved 0.007 0.1335 1
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0005 0.0006 0.0048
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0006 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1335 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0089 0.0089
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.4526 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0377 0.0819
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0089 0.0089
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.4526 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0377 0.1213
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0377 1
Onchocerca volvulus 0.0226 0.4526 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0005 0.0006 0.0048
Leishmania major endonuclease/exonuclease protein-like protein 0.0005 0.0006 0.0048
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Mycobacterium leprae Conserved hypothetical protein 0.0004 0 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0621 0.1372
Schistosoma mansoni cpg binding protein 0.0035 0.0621 0.0621
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Brugia malayi CCR4 0.0005 0.0006 0.0014
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0005 0.0006 0.0006
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0005 0.0006 0.0048
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0089 0.0089
Leishmania major pantothenate kinase subunit, putative 0.0005 0.0006 0.0048
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.4526 1
Onchocerca volvulus 0.0035 0.0621 0.136
Schistosoma mansoni ap endonuclease 0.0023 0.0377 0.0377
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0132 0.0291
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0014
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0014
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0005 0.0006 0.0006
Echinococcus multilocularis neutral sphingomyelinase 0.0005 0.0006 0.0006
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0377 0.0832
Leishmania major hypothetical protein, conserved 0.0005 0.0006 0.0048
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0005 0.0006 0.0048
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.4526 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0377 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0014
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.4526 1
Leishmania major hypothetical protein, conserved 0.0005 0.0006 0.0048
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0006 0.0006
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0005 0.0006 0.0048
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0377 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Echinococcus multilocularis traf and tnf receptor associated protein 0.0005 0.0006 0.0006
Toxoplasma gondii exonuclease III APE 0.0023 0.0377 0.3001
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.1335 1
Echinococcus granulosus traf and tnf receptor associated protein 0.0005 0.0006 0.0006
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0006 0.0014
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Echinococcus granulosus neutral sphingomyelinase 0.0005 0.0006 0.0006
Schistosoma mansoni ap endonuclease 0.0023 0.0377 0.0377
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.4526 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0377 0.0832
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0073 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0073 0.0148
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0089 0.0089
Mycobacterium leprae putative cytochrome p450 0.0004 0 0.5
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0005 0.0006 0.0048
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0014 0.0014
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0005 0.0006 0.0014
Leishmania major RNA-editing complex protein MP100, putative 0.0005 0.0006 0.0048
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0005 0.0006 0.0006
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0005 0.0006 0.0051
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.4526 1
Schistosoma mansoni carbon catabolite repressor protein 0.0005 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0377 0.0819
Leishmania major hypothetical protein, conserved 0.0005 0.0006 0.0048
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0005 0.0006 0.0048
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0006 0.0014
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.1335 0.2939
Trypanosoma brucei RNA editing exonuclease 2 0.0005 0.0006 0.0048
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0129 0.0285
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0132 0.0132

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.238721139 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
IC50 (functional) 15.4 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 17.1 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0398 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 39.8107 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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