Detailed information for compound 1482773

Basic information

Technical information
  • TDR Targets ID: 1482773
  • Name: 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydra zinyl]-3-nitrobenzoic acid
  • MW: 360.388 | Formula: C16H16N4O4S
  • H donors: 3 H acceptors: 4 LogP: 4.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=NNc1ccc(cc1[N+](=O)[O-])C(=O)O)Nc1ccc(c(c1)C)C
  • InChi: 1S/C16H16N4O4S/c1-9-3-5-12(7-10(9)2)17-16(25)19-18-13-6-4-11(15(21)22)8-14(13)20(23)24/h3-8,18H,1-2H3,(H,21,22)(H2,17,19,25)
  • InChiKey: UCFUCTDJCXWQDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[N'-[(3,4-dimethylphenyl)carbamothioyl]hydrazino]-3-nitro-benzoic acid
  • 4-[N'-[[(3,4-dimethylphenyl)amino]-thioxomethyl]hydrazino]-3-nitrobenzoic acid
  • 4-[N'-[(3,4-dimethylphenyl)thiocarbamoyl]hydrazino]-3-nitro-benzoic acid
  • 4-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-nitro-benzoic acid
  • 4-(2-{[(3,4-dimethylphenyl)amino]carbonothioyl}hydrazino)-3-nitrobenzoic acid
  • MLS001143821
  • SMR000473260

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 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
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
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0025 0.4672
Trypanosoma brucei telomerase reverse transcriptase 0.1267 0.2713 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0222 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0003 0.0121
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0067 0.0386
Echinococcus granulosus peregrin 0.0035 0.0051 0.1818
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0051 0.0189
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.2724
Loa Loa (eye worm) hypothetical protein 0.0085 0.0159 0.7179
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0013 0.0003 0.0004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0025 0.5045
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0051 0.2311
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0097 0.3654
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0181 0.7946
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0026 0.0035
Mycobacterium ulcerans hypothetical protein 0.003 0.0039 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0085 0.0159 0.7179
Echinococcus multilocularis peregrin 0.0035 0.0051 0.0291
Leishmania major hypothetical protein, conserved 0.0257 0.053 0.1881
Echinococcus multilocularis dna polymerase eta 0.0023 0.0026 0.0137
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0039 0.0051
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0013 0.0003 0.0121
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0222 0.073
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0026 0.0003
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0013 0.0003 0.0004
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0026 0.0094
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.027 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0083 0.3766
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0026 0.5301
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0003 0.0004
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0013 0.0003 0.0121
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0067 0.3033
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0013 0.0003 0.0121
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0051 0.2311
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0039 0.0051
Echinococcus multilocularis protein patched 0.0041 0.0064 0.0365
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0064 0.1941
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0026 0.4946
Loa Loa (eye worm) ACC-1 protein 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.115
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.1304
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0026 0.115
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.053 0.1879
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0039 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Leishmania major DNA polymerase eta, putative 0.0023 0.0026 0.0003
Loa Loa (eye worm) hypothetical protein 0.0085 0.0159 0.7179
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.2724
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0013 0.0003 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Trypanosoma brucei unspecified product 0.0016 0.001 0.0036
Echinococcus granulosus dna polymerase eta 0.0023 0.0026 0.0854
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0012 0.0045
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.053 0.1955
Schistosoma mansoni hypothetical protein 0.0035 0.005 0.2276
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Plasmodium falciparum phd finger protein, putative 0.0035 0.0051 0.0189
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0222 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Giardia lamblia Telomerase catalytic subunit 0.1267 0.2713 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0064 0.0365
Brugia malayi Bromodomain containing protein 0.0035 0.0051 0.0071
Brugia malayi Cation transporter family protein 0.0085 0.0159 0.0219
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0013 0.0003 0.0004
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0003 0.0121
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0224 0.8302
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.0551
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.1117
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0181 0.1069
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0013 0.0003 0.0004
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0067 0.2417
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0039 0.0692
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.4672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Brugia malayi hypothetical protein 0.0035 0.005 0.0069
Echinococcus multilocularis protein dispatched 1 0.0047 0.0076 0.0439
Onchocerca volvulus 0.0085 0.0159 0.0157
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0013 0.0003 0.0004
Leishmania major DNA polymerase kappa, putative 0.0023 0.0026 0.0003
Schistosoma mansoni patched 1 0.0041 0.0064 0.2868
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0064 0.2281
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Echinococcus multilocularis expressed conserved protein 0.009 0.0169 0.0994
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0025 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.1267 0.2713 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0051 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1267 0.2713 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.1673 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0012 0.0045
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0025 0.5045
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0003 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.001 0.0036
Brugia malayi PHD-finger family protein 0.0035 0.0051 0.0071
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0034
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.006 0.0106 0.4763
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0081 0.0469
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0025 0.4672
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.0222 0.0817
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0039 0.0218
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0026 0.0094
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1267 0.2713 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Trypanosoma brucei unspecified product 0.0023 0.0026 0.0094
Schistosoma mansoni kinase 0.0058 0.01 0.4531
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0026 0.115
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Brugia malayi jmjC domain containing protein 0.0043 0.0067 0.0093
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.1304
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0067 0.3033
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0085 0.0159 0.7179
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.053 0.1879
Giardia lamblia PHD finger protein 15 0.0035 0.0051 0.0096
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.0551
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0013 0.0003 0.0004
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0026 0.0137
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.4672
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0026 0.0094
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0132 0.5966
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0181 0.8176
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0039 1
Loa Loa (eye worm) ACC-1 protein 0.0013 0.0003 0.0121
Onchocerca volvulus 0.0085 0.0159 0.0157
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Brugia malayi jmjC domain containing protein 0.0115 0.0224 0.0309
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.005 0.0286
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Trypanosoma brucei unspecified product 0.0016 0.001 0.0036
Echinococcus granulosus dna polymerase kappa 0.0023 0.0026 0.0854
Schistosoma mansoni DNA polymerase eta 0.0023 0.0026 0.115
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0026 0.115
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.2868
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0181 0.6687
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.1304
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0051 0.1818
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0081 0.2934
Loa Loa (eye worm) LGC-31 protein 0.0013 0.0003 0.0121
Brugia malayi excitatory GABA receptor EXP-1A 0.0013 0.0003 0.0004
Onchocerca volvulus 0.0023 0.0025 0.0022
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0064 0.2868
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.1304
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.005 0.1789
Brugia malayi Cation transporter family protein 0.0013 0.0003 0.0004
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0181 0.025
Onchocerca volvulus 0.0085 0.0159 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.001 0.0036
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0184 0.832
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0067 0.3033
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0025 0.4672
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0222 0.0219
Brugia malayi Cation transporter family protein 0.0013 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0222 0.8202
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0012 0.0701
Mycobacterium tuberculosis Conserved protein 0.003 0.0039 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0026 0.0137
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0222 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0051 0.0189
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0013 0.0003 0.0121
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0064 0.2281
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0121
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.005 0.2276
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.2724
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0039 0.1363
Loa Loa (eye worm) hypothetical protein 0.0079 0.0146 0.6606
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0222 0.1311
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0025 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0034
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0222 0.0305
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0026 0.5301
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.0551
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0097 0.3654
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0012 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0026 0.0094
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0051 0.0291
Echinococcus granulosus expressed conserved protein 0.009 0.0169 0.6219
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0039 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0224 0.1327
Mycobacterium ulcerans hypothetical protein 0.0023 0.0025 0.4672
Schistosoma mansoni hypothetical protein 0.0035 0.0051 0.2311
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0026 0.0037
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0003 0.0004
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0026 0.0035
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0025 0.4672
Plasmodium vivax telomerase reverse transcriptase, putative 0.1267 0.2713 1
Leishmania major telomerase reverse transcriptase, putative 0.1267 0.2713 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.4672
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0222 0.073
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0051 0.2311
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0026 0.0854
Onchocerca volvulus Alhambra homolog 0.0035 0.0051 0.0049
Giardia lamblia Kinase, PLK 0.0114 0.0222 0.073
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.1117
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0173 0.781
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0026 0.4946
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0222 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.0551
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0003 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0026 0.0094
Mycobacterium ulcerans hypothetical protein 0.003 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.0551
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0013 0.0003 0.0004
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.027 0.1599
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0222 0.0733
Plasmodium falciparum telomerase reverse transcriptase 0.1267 0.2713 1
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Schistosoma mansoni nAChR subunit 0.0013 0.0003 0.0121
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0013 0.0003 0.0121
Brugia malayi CHE-14 protein 0.0041 0.0064 0.0088
Brugia malayi Telomerase reverse transcriptase 0.3371 0.7262 1
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.2724
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.001 0.0036
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.1117

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 100 uM PubChem BioAssay. Fluorescence polarization aasay to screen for inhibitors that compete for the binding of FadD28 to a bisubstrate Measured in Biochemical System Using Plate Reader - 2147-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.9728 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.