Detailed information for compound 650740

Basic information

Technical information
  • TDR Targets ID: 650740
  • Name: 2-(4-nitrophenyl)quinoxaline
  • MW: 251.24 | Formula: C14H9N3O2
  • H donors: 0 H acceptors: 4 LogP: 2.7 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)c1cnc2c(n1)cccc2
  • InChi: 1S/C14H9N3O2/c18-17(19)11-7-5-10(6-8-11)14-9-15-12-3-1-2-4-13(12)16-14/h1-9H
  • InChiKey: KINUCWHRJPFQQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00233133
  • ST5000471
  • 2-(4-Nitro-phenyl)-quinoxaline
  • BAS 00154651
  • Oprea1_235725
  • MLS001203625
  • SMR000505095

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0049 0.0461 0.1068
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0162 0.0472
Giardia lamblia Hypothetical protein 0.002 0.0162 0.0926
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0487 0.0457
Brugia malayi cathepsin B-like cysteine proteinase 0.028 0.2828 1
Echinococcus multilocularis cysteine protease 0.0052 0.0487 0.0457
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.002 0.0162 0.0376
Echinococcus granulosus cathepsin b 0.028 0.2828 0.6531
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0162 0.0472
Giardia lamblia Cysteine protease 0.002 0.0162 0.0926
Schistosoma mansoni cpg binding protein 0.003 0.0262 0.0608
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0162 0.0376
Entamoeba histolytica cysteine proteinase 1, putative 0.002 0.0162 0.0767
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0078 0.0547
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0151 0.0279
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.002 0.0162 0.2892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0487 0.113
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0078 0.0547
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.002 0.0162 0.0376
Brugia malayi cathepsin L-like precursor 0.0052 0.0487 0.1634
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1699 0.3893
Plasmodium vivax serine-repeat antigen (SERA), putative 0.002 0.0162 0.2892
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0151 0.0434
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trypanosoma cruzi cruzipain precursor, putative 0.0052 0.0487 0.1488
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.002 0.0162 0.2892
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.002 0.0162 0.1423
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.028 0.2828 1
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Toxoplasma gondii cathepsin CPL 0.0052 0.0487 0.4778
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0479 0.1045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Schistosoma mansoni hypothetical protein 0.0019 0.0151 0.0351
Giardia lamblia Dipeptidyl-peptidase I precursor 0.002 0.0162 0.0926
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0487 0.3728
Echinococcus granulosus expressed conserved protein 0.0112 0.1102 0.2498
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0479 0.4723
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0162 0.0767
Echinococcus multilocularis cathepsin b 0.028 0.2828 0.2805
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Giardia lamblia Hypothetical protein 0.002 0.0162 0.0926
Echinococcus granulosus cathepsin l1 0.0052 0.0487 0.1063
Onchocerca volvulus 0.0052 0.0487 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0051 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Echinococcus granulosus cathepsin L 0.002 0.0162 0.0304
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.002 0.0162 0.1423
Echinococcus granulosus muscleblind protein 0.018 0.1806 0.4144
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Plasmodium vivax vivapain-1 0.002 0.0162 0.2892
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.002 0.0162 0.2892
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0078 0.0181
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0162 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0487 0.4803
Brugia malayi DKFZp564C0469 protein 0.0012 0.0078 0.0172
Schistosoma mansoni cpg binding protein 0.0032 0.0279 0.0648
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Schistosoma mansoni cathepsin S (C01 family) 0.002 0.0162 0.0376
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Toxoplasma gondii cathepsin CPC1 0.002 0.0162 0.1382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.002 0.0162 0.2892
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0487 0.4803
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Onchocerca volvulus 0.0052 0.0487 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.002 0.0162 0.2892
Brugia malayi hypothetical protein 0.0012 0.0078 0.0172
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0162 0.1423
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0487 1
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0487 0.1488
Brugia malayi cathepsin F-like cysteine proteinase 0.002 0.0162 0.0472
Echinococcus multilocularis cathepsin L 0.002 0.0162 0.0131
Trypanosoma cruzi major cysteine proteinase, putative 0.002 0.0162 0.0306
Loa Loa (eye worm) hypothetical protein 0.0052 0.0487 0.1634
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.1423
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1699 0.1672
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.002 0.0162 0.2892
Echinococcus multilocularis cpg binding protein 0.0032 0.0279 0.0248
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.028 0.2828 0.6557
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.028 0.2828 0.6557
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.002 0.0162 0.0306
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.01 0.0987 0.2288
Giardia lamblia Cathepsin B precursor 0.01 0.0987 1
Entamoeba histolytica cysteine proteinase 2 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.0487 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0536 0.5285
Brugia malayi CXXC zinc finger family protein 0.003 0.0262 0.0829
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Plasmodium vivax serine-repeat antigen (SERA) 0.002 0.0162 0.2892
Plasmodium falciparum serine repeat antigen 2 0.002 0.0162 0.2892
Schistosoma mansoni hypothetical protein 0.0019 0.0151 0.0351
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.002 0.0162 0.0376
Schistosoma mansoni hypothetical protein 0.0049 0.0461 0.1068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0479 0.0449
Brugia malayi Muscleblind-like protein 0.018 0.1806 0.6348
Loa Loa (eye worm) fibroinase 0.0052 0.0487 0.1634
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0078 0.0000031374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Trypanosoma cruzi cysteine proteinase, putative 0.002 0.0162 0.0306
Echinococcus granulosus GPCR family 2 0.0019 0.0151 0.0279
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0162 0.0376
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0162 0.0472
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0479 0.1045
Echinococcus granulosus cpg binding protein 0.0032 0.0279 0.0578
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.0078 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0487 0.0457
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.002 0.0162 0.2892
Giardia lamblia Cathepsin L-like protease 0.002 0.0162 0.0926
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.002 0.0162 0.2892
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0051 0.0044
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0151 0.0434
Echinococcus granulosus dnaJ subfamily B 0.0425 0.4313 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Schistosoma mansoni hypothetical protein 0.0425 0.4313 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0051 0.0074
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.002 0.0162 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.0487 0.1634
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.1423
Loa Loa (eye worm) hypothetical protein 0.0019 0.0151 0.0434
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1176 0.4094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Echinococcus multilocularis muscleblind protein 1 0.018 0.1806 0.178
Echinococcus multilocularis cysteine protease 0.0052 0.0487 0.0457
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0487 0.0457
Giardia lamblia Cathepsin L-like protease 0.002 0.0162 0.0926
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0487 0.113
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0052 0.0487 0.1488
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0574 0.1942
Trypanosoma cruzi cysteine protease, putative 0.002 0.0162 0.0306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.002 0.0162 0.0926
Plasmodium vivax vivapain-2 0.0052 0.0487 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.002 0.0162 0.1423
Toxoplasma gondii cathepsin B 0.01 0.0987 1
Loa Loa (eye worm) cysteine protease 0.0052 0.0487 0.1634
Plasmodium falciparum serine repeat antigen 9 0.002 0.0162 0.2892
Loa Loa (eye worm) cathepsin B 0.01 0.0987 0.3419
Giardia lamblia Dipeptidyl-peptidase I precursor 0.002 0.0162 0.0926
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0078 0.0547
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.002 0.0162 0.0376
Echinococcus granulosus cathepsin L cysteine protease 0.002 0.0162 0.0304
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0162 0.0472
Echinococcus multilocularis nibrin 0.0012 0.0078 0.0046
Plasmodium falciparum serine repeat antigen 6 0.002 0.0162 0.2892
Brugia malayi cathepsin Z-like cysteine proteinase 0.002 0.0162 0.0472
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Giardia lamblia Cathepsin B precursor 0.002 0.0162 0.0926
Echinococcus multilocularis expressed conserved protein 0.0112 0.1102 0.1073
Loa Loa (eye worm) ctsf protein 0.0052 0.0487 0.1634
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0487 0.3728
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Schistosoma mansoni topbp1 0.0012 0.0078 0.0181
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0162 0.0376
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0487 0.1488
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.002 0.0162 0.2892
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.0487 0.1063
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Onchocerca volvulus 0.0052 0.0487 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.0487 0.1063
Giardia lamblia Cathepsin B precursor 0.01 0.0987 1
Loa Loa (eye worm) hypothetical protein 0.028 0.2828 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Giardia lamblia Cathepsin B precursor 0.002 0.0162 0.0926
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.0487 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium falciparum serine repeat antigen 3 0.002 0.0162 0.2892
Onchocerca volvulus 0.0052 0.0487 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0078 0.0547
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0605 0.1403
Plasmodium falciparum serine repeat antigen 7 0.002 0.0162 0.2892
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0151 0.012
Loa Loa (eye worm) hypothetical protein 0.0041 0.0378 0.1244
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0262 0.0829
Treponema pallidum DNA ligase (lig) 0.0012 0.0078 0.5
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0078 0.0172
Echinococcus multilocularis GPCR, family 2 0.0019 0.0151 0.012
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.028 0.2828 0.6557
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0078 0.0547
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0151 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Echinococcus multilocularis protein patched 0.0051 0.0479 0.0449
Schistosoma mansoni hypothetical protein 0.0019 0.0151 0.0351
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.002 0.0162 0.0376
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.01 0.0987 0.3304
Toxoplasma gondii preprocathepsin c precursor, putative 0.002 0.0162 0.1382
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.0078 0.0502
Plasmodium falciparum serine repeat antigen 5 0.002 0.0162 0.2892
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trypanosoma cruzi major cysteine proteinase, putative 0.002 0.0162 0.0306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0162 0.1423
Schistosoma mansoni DNA ligase IV 0.0012 0.0078 0.0181
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.002 0.0162 0.0376
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0162 0.1423
Echinococcus granulosus cysteine protease 0.002 0.0162 0.0304
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0574 0.1942
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.002 0.0162 0.1423
Onchocerca volvulus 0.0052 0.0487 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Onchocerca volvulus 0.0052 0.0487 1
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.0078 0.105
Brugia malayi cahepsin L-like non-peptiedase homolog 0.002 0.0162 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.002 0.0162 0.2892
Entamoeba histolytica papain family cysteine protease domain containing protein 0.002 0.0162 0.0767
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0162 0.0767
Echinococcus multilocularis protein dispatched 1 0.0058 0.0553 0.0523
Brugia malayi cathepsin L-like cysteine proteinase 0.002 0.0162 0.0472
Echinococcus multilocularis cathepsin L 0.002 0.0162 0.0131
Giardia lamblia Cysteine protease 0.002 0.0162 0.0926
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Echinococcus granulosus cathepsin l1 0.0052 0.0487 0.1063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Plasmodium vivax vivapain-3 0.002 0.0162 0.2892
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.028 0.2828 0.6557
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0487 0.1488
Schistosoma mansoni hypothetical protein 0.0041 0.0378 0.0877
Loa Loa (eye worm) hypothetical protein 0.0051 0.0479 0.1606
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0162 0.0472
Plasmodium vivax unspecified product 0.002 0.0162 0.2892
Plasmodium falciparum serine repeat antigen 4 0.002 0.0162 0.2892
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.002 0.0162 0.0926
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.002 0.0162 0.0926
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.0078 0.5
Giardia lamblia Dipeptidyl-peptidase I precursor 0.002 0.0162 0.0926
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.0078 0.0502
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0172
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0479 0.1606
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0078 0.0172
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0487 0.113
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.002 0.0162 0.1423
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0078 0.0547
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.0487 0.1634
Echinococcus granulosus nibrin 0.0012 0.0078 0.0107
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0151 0.012
Loa Loa (eye worm) hypothetical protein 0.0062 0.0597 0.2027
Plasmodium vivax vivapain-2 0.0052 0.0487 1
Onchocerca volvulus 0.0052 0.0487 1
Chlamydia trachomatis DNA ligase 0.0012 0.0078 0.5
Echinococcus multilocularis cathepsin b 0.028 0.2828 0.2805
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Entamoeba histolytica cysteine protease, putative 0.0052 0.0487 0.3728
Trypanosoma cruzi cysteine proteinase, putative 0.002 0.0162 0.0306
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.002 0.0162 0.0376
Loa Loa (eye worm) hypothetical protein 0.0119 0.1176 0.4094
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0078 0.0547
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.002 0.0162 0.2892
Schistosoma mansoni patched 1 0.0051 0.0479 0.1112
Onchocerca volvulus Cathepsin L homolog 0.002 0.0162 0.2892
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1194 0.2769
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0078 0.0547
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.0078 0.105
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Echinococcus granulosus cathepsin b 0.028 0.2828 0.6531
Echinococcus multilocularis dnaJ subfamily B 0.0425 0.4313 0.4295
Brugia malayi cathepsin Z-like cysteine proteinase 0.002 0.0162 0.0472
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Echinococcus multilocularis muscleblind protein 0.018 0.1806 0.178
Onchocerca volvulus Cathepsin F homolog 0.0052 0.0487 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0032 0.0074
Giardia lamblia Cathepsin B precursor 0.002 0.0162 0.0926
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1176 0.2671
Loa Loa (eye worm) hypothetical protein 0.006 0.0574 0.1942
Onchocerca volvulus 0.0052 0.0487 1
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0162 0.0472
Trypanosoma brucei cysteine peptidase C (CPC) 0.01 0.0987 1
Giardia lamblia Cathepsin B precursor 0.002 0.0162 0.0926
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0487 0.1488
Entamoeba histolytica papain family cysteine protease domain containing protein 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Brugia malayi Cathepsin L-like cysteine proteinase 0.0052 0.0487 0.1634
Brugia malayi topoisomerase 0.0012 0.0078 0.0172
Loa Loa (eye worm) hypothetical protein 0.018 0.1806 0.6348
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1176 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.002 0.0162 0.1423
Plasmodium vivax serine-repeat antigen (SERA) 0.002 0.0162 0.2892
Onchocerca volvulus 0.002 0.0162 0.2892
Brugia malayi fibroinase precursor 0.002 0.0162 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.002 0.0162 0.0376
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0487 0.3728
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0487 1
Onchocerca volvulus 0.0012 0.0078 0.105
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.01 0.0987 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.002 0.0162 0.2892
Schistosoma mansoni cpg binding protein 0.0032 0.0279 0.0648
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0162 0.0767
Schistosoma mansoni hypothetical protein 0.0049 0.0461 0.1068
Onchocerca volvulus 0.003 0.0262 0.5074
Giardia lamblia Cysteine protease 0.002 0.0162 0.0926
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0487 0.4803
Giardia lamblia Cathepsin L precursor 0.002 0.0162 0.0926
Echinococcus granulosus cathepsin L 0.002 0.0162 0.0304
Brugia malayi cathepsin L precursor 0.002 0.0162 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0574 0.1942
Brugia malayi Cathepsin L-like precursor 0.0052 0.0487 0.1634
Plasmodium vivax unspecified product 0.002 0.0162 0.2892
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.0487 1
Brugia malayi CHE-14 protein 0.0051 0.0479 0.1606
Schistosoma mansoni hypothetical protein 0.0049 0.0461 0.1068
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0487 0.0457
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0078 0.0107
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0162 0.1423
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Schistosoma mansoni hypothetical protein 0.0019 0.0151 0.0351
Entamoeba histolytica hypothetical protein 0.002 0.0162 0.0767
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0487 0.1634
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1176 0.1147
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.002 0.0162 0.1423
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0078 0.0547
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0162 0.0306
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0078 0.5
Toxoplasma gondii cathepsin CPC2 0.002 0.0162 0.1382
Giardia lamblia Cathepsin B precursor 0.01 0.0987 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0151 0.0434
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.005 0.007
Schistosoma mansoni cathepsin B (C01 family) 0.002 0.0162 0.0376
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.01 0.0987 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0487 0.4803
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0162 0.0767
Plasmodium falciparum serine repeat antigen 1 0.002 0.0162 0.2892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0487 0.4503
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0078 0.0547
Plasmodium vivax serine-repeat antigen (SERA), putative 0.002 0.0162 0.2892
Entamoeba histolytica cysteine protease, putative 0.002 0.0162 0.0767
Plasmodium falciparum serine repeat antigen 8 0.002 0.0162 0.2892
Loa Loa (eye worm) hypothetical protein 0.0052 0.0487 0.1634
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.0472
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.002 0.0162 0.0376
Loa Loa (eye worm) hypothetical protein 0.0052 0.0487 0.1634
Loa Loa (eye worm) hypothetical protein 0.0052 0.0487 0.1634
Loa Loa (eye worm) hypothetical protein 0.018 0.1806 0.6348
Giardia lamblia Cysteine protease 0.002 0.0162 0.0926
Schistosoma mansoni topbp1 0.0012 0.0078 0.0181
Giardia lamblia Cathepsin B precursor 0.002 0.0162 0.0926
Giardia lamblia Encystation-specific protease 0.002 0.0162 0.0926
Brugia malayi hypothetical protein 0.0012 0.0078 0.0172
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0078 0.0046
Schistosoma mansoni cathepsin C 0.002 0.0162 0.0376
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0378 0.1244

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1577 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1961 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) 11.2202 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 29.0929 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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.

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