Detailed information for compound 1650714

Basic information

Technical information
  • TDR Targets ID: 1650714
  • Name: N-[(2-fluorophenyl)methylideneamino]benzo[e][ 1]benzoxole-2-carboxamide
  • MW: 332.328 | Formula: C20H13FN2O2
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1oc2c(c1)c1ccccc1cc2)N/N=C/c1ccccc1F
  • InChi: 1S/C20H13FN2O2/c21-17-8-4-2-6-14(17)12-22-23-20(24)19-11-16-15-7-3-1-5-13(15)9-10-18(16)25-19/h1-12H,(H,23,24)/b22-12+
  • InChiKey: VFHJRRJULULMQH-WSDLNYQXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-fluorophenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide
  • N-[(2-fluorophenyl)methyleneamino]-2-benzo[e]benzofurancarboxamide
  • N-[(2-fluorobenzylidene)amino]benzo[e]benzofuran-2-carboxamide
  • AN-988/40679929

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Non ATPase subunit MPR1 of 26S proteasome Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum CBR-CSN-5 protein, related Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum 26S proteasome-associated Mov34/MPN/PAD-1 family. JAB domain. Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium knowlesi 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Theileria parva proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67 Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) proteasome 26S subunit Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans similar to S. cerevisiae RPN11 (YFR004W) deubiquitinylating metalloisopeptidase subunit of the 19S regulatory particle of the 26 Get druggable targets OG5_127757 All targets in OG5_127757
Cryptosporidium hominis Mov34/MPN/PAD-1 family proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 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
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III Get druggable targets OG5_127757 All targets in OG5_127757
Babesia bovis 26S proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67, putative Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania braziliensis proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 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
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii Mov34/MPN/PAD-1 family, putative Get druggable targets OG5_127757 All targets in OG5_127757
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K03030 26S proteasome regulatory subunit N11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania infantum proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Trypanosoma brucei COP9 signalosome complex subunit 5, putative proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 310 aa 258 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0264 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0641 0.0628
Brugia malayi jmjC domain containing protein 0.0115 0.1012 0.24
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0641 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0255 0.0574
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0255 0.0606
Brugia malayi beta-lactamase family protein 0.0043 0.0264 0.0627
Loa Loa (eye worm) SET domain-containing protein 0.0423 0.4215 1
Brugia malayi SET domain containing protein 0.0423 0.4215 1
Onchocerca volvulus 0.0043 0.0264 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1012 0.0999
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0264 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0264 0.0596
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0322 0.0308
Schistosoma mansoni hypothetical protein 0.0035 0.0178 0.0423
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0264 1
Schistosoma mansoni enhancer of zeste ezh 0.0423 0.4215 1
Giardia lamblia PHD finger protein 15 0.0035 0.0178 1
Onchocerca volvulus 0.0043 0.0264 1
Brugia malayi beta-lactamase 0.0043 0.0264 0.0627
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0264 0.399
Entamoeba histolytica hypothetical protein 0.0043 0.0264 0.3307
Mycobacterium leprae Probable lipase LipE 0.0043 0.0264 0.5
Echinococcus granulosus peregrin 0.0035 0.0178 0.0391
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0423 0.4215 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0264 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0264 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0178 0.5393
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0178 0.5393
Plasmodium falciparum phd finger protein, putative 0.0035 0.0178 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0641 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0765 0.1815
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0255 0.0242
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Brugia malayi jmjC domain containing protein 0.0043 0.0255 0.0606
Loa Loa (eye worm) beta-lactamase 0.0043 0.0264 0.0596
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0641 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0178 0.0391
Schistosoma mansoni hypothetical protein 0.0043 0.0264 0.0626
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Entamoeba histolytica hypothetical protein 0.0043 0.0264 0.3307
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0264 0.399
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0178 0.0164
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0264 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0264 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0178 0.0423
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1012 0.2374
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0292 0.0662
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III 0.0026 0.0078 0.0184
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0641 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0264 0.0596
Echinococcus multilocularis 26S proteasome regulatory subunit N11 0.0026 0.0078 0.0064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0264 0.0627
Toxoplasma gondii ABC1 family protein 0.0043 0.0264 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0264 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0641 0.1521
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0264 0.0626
Brugia malayi PHD-finger family protein 0.0035 0.0178 0.0423
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2702 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Loa Loa (eye worm) hypothetical protein 0.006 0.044 0.1014
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0568 0.1319
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0264 0.399
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Brugia malayi hypothetical protein 0.0043 0.0264 0.0626
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0178 0.0391
Trichomonas vaginalis esterase, putative 0.0043 0.0264 1
Onchocerca volvulus 0.0043 0.0264 1
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0423 0.4215 0.4207
Entamoeba histolytica hypothetical protein 0.0043 0.0264 0.3307
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0264 0.0627
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0641 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0264 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0264 0.0627
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0641 0.1493
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0264 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0322 0.0732
Brugia malayi beta-lactamase family protein 0.0043 0.0264 0.0627
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0255 0.0606
Leishmania major hypothetical protein, conserved 0.0043 0.0264 0.399
Echinococcus granulosus 26S proteasome regulatory subunit N11 0.0026 0.0078 0.0151
Loa Loa (eye worm) hypothetical protein 0.0043 0.0264 0.0596
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0255 0.0574
Echinococcus multilocularis peregrin 0.0035 0.0178 0.0164
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0264 0.025
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0264 0.0251
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0264 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0178 0.5393
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0641 0.1521
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0178 0.0391
Brugia malayi Bromodomain containing protein 0.0035 0.0178 0.0423
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 0.0026 0.0078 0.0151
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0292 0.0278
Brugia malayi 26S proteasome regulatory subunit rpn11 0.0026 0.0078 0.0184
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0641 0.1493
Entamoeba histolytica hypothetical protein 0.0043 0.0264 0.3307
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0264 0.0595
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0264 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.447 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) = 18.2 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 77.5 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a MMP-2 Fluorescence assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.1962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] 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) 11.2202 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 112.2018 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.