Detailed information for compound 1251321

Basic information

Technical information
  • TDR Targets ID: 1251321
  • Name: N-(N'-(1,3-benzoxazol-2-yl)carbamimidoyl)-3-b romobenzamide
  • MW: 359.177 | Formula: C15H11BrN4O2
  • H donors: 2 H acceptors: 2 LogP: 3.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C(=O)NC(=N)Nc1nc2c(o1)cccc2
  • InChi: 1S/C15H11BrN4O2/c16-10-5-3-4-9(8-10)13(21)19-14(17)20-15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H3,17,18,19,20,21)
  • InChiKey: QFOKMOQZDOHKNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(N'-(1,3-benzoxazol-2-yl)carbamimidoyl)-3-bromo-benzamide
  • N-[amino-(1,3-benzoxazol-2-ylimino)methyl]-3-bromobenzamide
  • N-[(E)-amino-(1,3-benzoxazol-2-ylimino)methyl]-3-bromobenzamide
  • N-[(Z)-amino-(1,3-benzoxazol-2-ylimino)methyl]-3-bromobenzamide
  • MLS000767470
  • N-Benzooxazol-2-yl-N'-(3-bromo-benzoyl)-guanidine
  • SMR000429801
  • BIM-0035654.P001
  • STOCK1S-46174
  • ZINC04828540
  • CBMicro_035736

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 mansoni ap endonuclease 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 DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Theileria parva hypothetical protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Toxoplasma gondii exonuclease III APE 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Neospora caninum hypothetical protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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
Treponema pallidum exodeoxyribonuclease (exoA) 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 yoelii putative AP endonuclease-related 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
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
Trypanosoma cruzi 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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 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
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0365 0.3843 1
Brugia malayi RNA recognition motif domain containing protein 0.013 0.1153 0.2999
Brugia malayi RNA binding protein 0.013 0.1153 0.2999
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0027 0.007
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0027 0.0027
Echinococcus granulosus expressed protein 0.0364 0.3826 0.3826
Brugia malayi steroid hormone receptor 0.0031 0.0027 0.007
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0027 0.007
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0201 0.1959 0.1959
Brugia malayi TAR-binding protein 0.013 0.1153 0.2999
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0027 0.0027
Echinococcus granulosus tar DNA binding protein 0.013 0.1153 0.1153
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0201 0.1959 0.1959
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0201 0.1959 0.5098
Leishmania major DNA damage repair protein, putative 0.0062 0.0379 0.0604
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0408 0.0408
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0277 0.7315
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0027 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0201 0.1959 0.1959
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.007 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0027 0.0027
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.2009 0.5226
Brugia malayi jmjC domain containing protein 0.0035 0.007 0.0182
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1248 0.5772
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0027 0.0027
Loa Loa (eye worm) TAR-binding protein 0.013 0.1153 0.2999
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0027 0.007
Trypanosoma brucei DNA polymerase IV, putative 0.0201 0.1959 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0062 0.0379 1
Trypanosoma brucei DNA polymerase eta, putative 0.0201 0.1959 1
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0533 0.0533
Brugia malayi hypothetical protein 0.0053 0.0277 0.0721
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0071 0.0474 0.1232
Echinococcus multilocularis GPCR, family 2 0.0065 0.0408 0.0408
Giardia lamblia DINP protein human, muc B family 0.0201 0.1959 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0062 0.0379 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0757 0.0757
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1248 0.5772
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Loa Loa (eye worm) hypothetical protein 0.0065 0.0408 0.1062
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0027 0.0027
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0201 0.1959 0.5098
Trypanosoma cruzi DNA polymerase kappa, putative 0.0201 0.1959 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0065 0.0408 0.0408
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1248 0.5772
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0379 0.0604
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.007 0.0182
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0164 0.0164
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0027 0.0027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.2009 0.5226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0365 0.3843 1
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0027 0.007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0164 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0027 0.007
Trypanosoma cruzi hypothetical protein 0.0071 0.0474 0.1169
Brugia malayi hypothetical protein 0.0043 0.0164 0.0426
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0408 0.0408
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0379 0.0604
Trypanosoma brucei DNA polymerase IV, putative 0.0201 0.1959 1
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0277 0.7315
Giardia lamblia DNA damage repair protein 0.0062 0.0379 0.1933
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0027 0.0027
Trypanosoma cruzi DNA polymerase kappa, putative 0.0201 0.1959 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0027 1
Leishmania major DNA polymerase kappa, putative 0.0062 0.0379 0.0604
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0201 0.1959 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0027 0.007
Schistosoma mansoni hypothetical protein 0.0065 0.0408 0.0408
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0027 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0027 0.007
Echinococcus multilocularis dna polymerase kappa 0.0201 0.1959 0.1959
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0408 0.0408
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0027 0.0027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0164 0.0164
Brugia malayi jmjC domain containing protein 0.0095 0.0757 0.197
Leishmania major DNA polymerase eta, putative 0.0201 0.1959 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0027 0.0027
Loa Loa (eye worm) RNA binding protein 0.013 0.1153 0.2999
Schistosoma mansoni coup transcription factor 0.0031 0.0027 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.0379 0.0604
Brugia malayi ImpB/MucB/SamB family protein 0.0201 0.1959 0.5098
Trypanosoma brucei unspecified product 0.0201 0.1959 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0027 0.007
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.007 0.007
Trichomonas vaginalis DNA polymerase eta, putative 0.0201 0.1959 1
Plasmodium vivax DNA repair protein REV1, putative 0.0062 0.0379 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0027 0.0027
Brugia malayi ecdysteroid receptor 0.0031 0.0027 0.007
Schistosoma mansoni tar DNA-binding protein 0.013 0.1153 0.1153
Echinococcus granulosus dna polymerase kappa 0.0201 0.1959 0.1959
Mycobacterium tuberculosis Conserved hypothetical protein 0.0201 0.1959 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0201 0.1959 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0365 0.3843 0.3843
Loa Loa (eye worm) hypothetical protein 0.0053 0.0277 0.0721
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0071 0.0474 0.0474
Entamoeba histolytica deoxycytidyl transferase, putative 0.0201 0.1959 1
Trypanosoma brucei unspecified product 0.0138 0.1248 0.5772
Trypanosoma brucei chrX additional, unordered contigs 0.0062 0.0379 0.0604
Loa Loa (eye worm) hypothetical protein 0.014 0.1268 0.3299
Echinococcus multilocularis tar DNA binding protein 0.013 0.1153 0.1153
Brugia malayi ImpB/MucB/SamB family protein 0.0201 0.1959 0.5098
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0027 0.007
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0027 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0027 0.007
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0277 0.7315
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0027 0.0027
Schistosoma mansoni tar DNA-binding protein 0.013 0.1153 0.1153
Brugia malayi polk-prov protein 0.0062 0.0379 0.0985
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0757 0.0757
Trypanosoma cruzi DNA damage repair protein, putative 0.0062 0.0379 0.0604
Trypanosoma brucei DNA polymerase IV, putative 0.0201 0.1959 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0408 0.1062
Schistosoma mansoni tar DNA-binding protein 0.013 0.1153 0.1153
Plasmodium falciparum DNA repair protein REV1, putative 0.0062 0.0379 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.1153 0.1153
Leishmania major DNA polymerase kappa, putative 0.0201 0.1959 1
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0027 0.0027
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0062 0.0379 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0027 0.007
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0349 0.3654 0.3654
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0027 0.0027
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0027 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0027 0.007
Schistosoma mansoni tar DNA-binding protein 0.013 0.1153 0.1153
Echinococcus multilocularis dna polymerase eta 0.0201 0.1959 0.1959
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0365 0.3843 0.3843
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0027 0.007
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0379 0.0604
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Loa Loa (eye worm) hypothetical protein 0.0205 0.2009 0.5226
Echinococcus granulosus sentrin specific protease 8 0.0071 0.0474 0.0474
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0201 0.1959 1
Trypanosoma brucei DNA damage repair protein, putative 0.0062 0.0379 0.0604
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0379 0.0604
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0027 0.007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Schistosoma mansoni DNA polymerase eta 0.0201 0.1959 0.1959
Schistosoma mansoni hypothetical protein 0.014 0.1268 0.1268
Loa Loa (eye worm) hypothetical protein 0.005 0.0238 0.0618
Onchocerca volvulus 0.0031 0.0027 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.1153 0.2999
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0408 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Brugia malayi nuclear receptor NHR-88 0.0031 0.0027 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0027 0.007
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0027 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.0379 0.0604
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0408 0.1062
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0027 0.0027
Echinococcus multilocularis geminin 0.0904 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0164 0.0164
Leishmania major DNA polymerase eta, putative 0.0062 0.0379 0.0604
Schistosoma mansoni hypothetical protein 0.0065 0.0408 0.0408
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0904 1 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0062 0.0379 0.0379
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Echinococcus multilocularis expressed protein 0.0364 0.3826 0.3826
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0201 0.1959 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0071 0.0474 0.1726
Trypanosoma brucei unspecified product 0.0138 0.1248 0.5772
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Loa Loa (eye worm) Ulp1 protease 0.0071 0.0474 0.1232
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0354 0.0922
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0027 0.0027
Trypanosoma cruzi DNA polymerase eta, putative 0.0201 0.1959 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0062 0.0379 0.0985
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Mycobacterium ulcerans DNA polymerase IV 0.0201 0.1959 1
Trypanosoma brucei DNA damage repair protein, putative 0.0062 0.0379 0.0604
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0027 0.0027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.007 0.007
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0027 0.007
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0027 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0027 0.007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0027 0.007
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0027 0.007
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.2009 0.5226
Trypanosoma cruzi DNA damage repair protein, putative 0.0062 0.0379 0.0604
Brugia malayi hypothetical protein 0.0034 0.0061 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0201 0.1959 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0027 0.0027
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0201 0.1959 1
Echinococcus granulosus dna polymerase eta 0.0201 0.1959 0.1959
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.1268 0.3299
Schistosoma mansoni hypothetical protein 0.0904 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0379 0.0604
Echinococcus granulosus GPCR family 2 0.0065 0.0408 0.0408
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0027 0.0027
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0201 0.1959 0.1959
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0027 0.007
Echinococcus multilocularis sentrin specific protease 8 0.0071 0.0474 0.0474
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0065 0.0408 0.0408
Echinococcus granulosus jumonji domain containing protein 0.0041 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.007
Mycobacterium ulcerans DNA polymerase IV 0.0201 0.1959 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0277 0.7315
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0027 0.007
Brugia malayi nuclear hormone receptor 0.0031 0.0027 0.007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0408 0.0408
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.9953 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 (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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