Detailed information for compound 1620995

Basic information

Technical information
  • TDR Targets ID: 1620995
  • Name: 2-[[2-(benzoylamino)-3-(2-hydroxyphenyl)prop- 2-enoyl]amino]butanedioic acid
  • MW: 398.366 | Formula: C20H18N2O7
  • H donors: 5 H acceptors: 7 LogP: 1.44 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC(C(=O)O)NC(=O)/C(=C/c1ccccc1O)/NC(=O)c1ccccc1
  • InChi: 1S/C20H18N2O7/c23-16-9-5-4-8-13(16)10-14(21-18(26)12-6-2-1-3-7-12)19(27)22-15(20(28)29)11-17(24)25/h1-10,15,23H,11H2,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/b14-10-
  • InChiKey: PDXQGEQJZVWYKU-UVTDQMKNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-(2-hydroxyphenyl)-1-oxo-2-[(oxo-phenylmethyl)amino]prop-2-enyl]amino]butanedioic acid
  • 2-[[2-(benzoylamino)-3-(2-hydroxyphenyl)acryloyl]amino]succinic acid
  • 2-[[3-(2-hydroxyphenyl)-2-(phenylcarbonylamino)prop-2-enoyl]amino]butanedioic acid
  • AIDS-151216
  • AIDS151216
  • N-(2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)aspartic acid
  • NSC690956
  • NCI60_032639

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0055 0.0067 0.0033
Brugia malayi brahma associated protein 60 kDa 0.145 0.4599 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0254 0.0552
Onchocerca volvulus 0.0074 0.0129 0.0208
Loa Loa (eye worm) hypothetical protein 0.027 0.0766 0.1666
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0108 0.0239 0.4737
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.0034 0.0426
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.013 0.031 0.6216
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0045 0.0034 0.003
Entamoeba histolytica hypothetical protein 0.0072 0.0121 0.2483
Loa Loa (eye worm) transcription factor SMAD2 0.0099 0.021 0.0456
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0045 0.0041
Brugia malayi hypothetical protein 0.0072 0.0121 0.0227
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0045 0.0034 0.0074
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.145 0.4599 1
Chlamydia trachomatis DNA topoisomerase I 0.145 0.4599 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0259 0.0564
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0045 0.0034 0.0426
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0516 0.1564 1
Brugia malayi YY1-associated factor 2 0.0516 0.1564 0.3376
Onchocerca volvulus 0.0516 0.1564 0.3351
Onchocerca volvulus 0.0516 0.1564 0.3351
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0153 0.0385 0.7803
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0108 0.0239 0.4737
Schistosoma mansoni brg-1 associated factor 0.145 0.4599 0.4581
Loa Loa (eye worm) hypothetical protein 0.0516 0.1564 0.34
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0108 0.0239 0.4737
Schistosoma mansoni hypothetical protein 0.145 0.4599 0.4581
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.013 0.031 0.5543
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0121 0.0117
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.013 0.031 0.6216
Echinococcus multilocularis peptidase Clp (S14 family) 0.013 0.031 0.0305
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0254 0.0249
Echinococcus multilocularis expressed conserved protein 0.0106 0.0231 0.0227
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0083 0.0159 0.0345
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0034 0.0037
Loa Loa (eye worm) hypothetical protein 0.0177 0.0464 0.1008
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0074 0.0129 0.0281
Loa Loa (eye worm) brahma associated protein 0.145 0.4599 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0068 0.011 0.0166
Loa Loa (eye worm) hypothetical protein 0.0198 0.0531 0.1155
Brugia malayi Probable ClpP-like protease 0.0198 0.0531 0.1122
Trichomonas vaginalis conserved hypothetical protein 0.145 0.4599 1
Echinococcus granulosus survival motor neuron protein 1 0.027 0.0766 0.0762
Loa Loa (eye worm) hypothetical protein 0.0516 0.1564 0.34
Schistosoma mansoni survival motor neuron protein 0.0055 0.0067 0.0033
Loa Loa (eye worm) hypothetical protein 0.0073 0.0125 0.0271
Leishmania major 4-coumarate:coa ligase-like protein 0.0153 0.0385 0.2295
Trypanosoma cruzi WLM domain containing protein, putative 0.0516 0.1564 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0045 0.0024
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0516 0.1564 1
Echinococcus granulosus expressed conserved protein 0.0106 0.0231 0.0227
Loa Loa (eye worm) hypothetical protein 0.0048 0.0045 0.0098
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0153 0.0385 0.7803
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 1
Toxoplasma gondii hypothetical protein 0.0068 0.011 0.0166
Echinococcus multilocularis SWI:SNF matrix associated 0.145 0.4599 0.4597
Schistosoma mansoni lamin 0.0074 0.0129 0.0095
Loa Loa (eye worm) hypothetical protein 0.0074 0.0129 0.0281
Loa Loa (eye worm) hypothetical protein 0.0057 0.0073 0.0159
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0185 0.049 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0516 0.1564 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0198 0.0531 0.1089
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0516 0.1564 0.3351
Entamoeba histolytica acyl-CoA synthetase, putative 0.0153 0.0385 1
Schistosoma mansoni hypothetical protein 0.145 0.4599 0.4581
Loa Loa (eye worm) hypothetical protein 0.0059 0.008 0.0175
Loa Loa (eye worm) hypothetical protein 0.0114 0.0259 0.0564
Schistosoma mansoni RNA binding protein 0.0516 0.1564 0.1535
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0198 0.0531 0.0527
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.1564 0.3376
Echinococcus granulosus intermediate filament protein 0.0074 0.0129 0.0125
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0516 0.1564 1
Brugia malayi AMP-binding enzyme family protein 0.0153 0.0385 0.0803
Schistosoma mansoni patched 1 0.0048 0.0045 0.0011
Trypanosoma cruzi WLM domain containing protein, putative 0.0516 0.1564 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0068 0.011 0.1521
Brugia malayi hypothetical protein 0.027 0.0766 0.1635
Entamoeba histolytica hypothetical protein 0.0072 0.0121 0.2483
Schistosoma mansoni hypothetical protein 0.0072 0.0121 0.0087
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.0411 0.0406
Schistosoma mansoni cellular tumor antigen P53 0.0177 0.0464 0.0431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0058 0.0089
Echinococcus granulosus peptidase Clp S14 family 0.013 0.031 0.0305
Schistosoma mansoni hypothetical protein 0.0194 0.0517 0.0485
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.0034 0.0426
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0045 0.0034 0.0037
Echinococcus multilocularis protein patched 0.0048 0.0045 0.0041
Toxoplasma gondii ran binding protein 0.0516 0.1564 0.3351
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.1564 1
Mycobacterium ulcerans hypothetical protein 0.0153 0.0385 0.7062
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 1
Schistosoma mansoni TRABID protein (C64 family) 0.0516 0.1564 0.1535
Plasmodium vivax acyl-CoA synthetase, putative 0.0114 0.0259 0.0494
Leishmania major hypothetical protein, conserved 0.0516 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0516 0.1564 0.34
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0058 0.0024
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0114 0.0259 0.5163
Loa Loa (eye worm) hypothetical protein 0.0153 0.0385 0.0837
Schistosoma mansoni lamin 0.0074 0.0129 0.0095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0058 0.0054
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0153 0.0385 0.7062
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0198 0.0531 0.1089
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.145 0.4599 1
Leishmania major hypothetical protein, conserved 0.0516 0.1564 1
Schistosoma mansoni hypothetical protein 0.0047 0.0039 0.0005
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0034 0.0037
Loa Loa (eye worm) hypothetical protein 0.0153 0.0385 0.0837
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0153 0.0385 0.7062
Schistosoma mansoni fusion 0.0516 0.1564 0.1535
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.1564 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0045 0.0034 0.0037
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0114 0.0259 0.4535
Schistosoma mansoni intermediate filament proteins 0.0074 0.0129 0.0095
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.145 0.4599 1
Schistosoma mansoni hypothetical protein 0.0194 0.0517 0.0485
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0034 0.0037
Echinococcus multilocularis lamin 0.0074 0.0129 0.0125
Plasmodium vivax hypothetical protein, conserved 0.145 0.4599 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0153 0.0385 0.7062
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0108 0.0239 0.4737
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.145 0.4599 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0516 0.1564 0.156
Brugia malayi Calcitonin receptor-like protein seb-1 0.0083 0.0159 0.0308
Echinococcus granulosus lamin dm0 0.0074 0.0129 0.0125
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0516 0.1564 1
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0034 0.0037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0058 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.0099 0.021 0.0456
Loa Loa (eye worm) hypothetical protein 0.0114 0.0259 0.0564
Echinococcus granulosus geminin 0.0194 0.0517 0.0513
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0045 0.0034 0.0426
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.1564 1
Echinococcus multilocularis SWI:SNF matrix associated 0.145 0.4599 0.4597
Brugia malayi brahma associated protein 60 kDa 0.145 0.4599 1
Onchocerca volvulus 0.0516 0.1564 0.3351
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0045 0.0034 0.0426
Echinococcus granulosus zinc finger protein Ran binding 0.0516 0.1564 0.156
Trypanosoma brucei hypothetical protein, conserved 0.0516 0.1564 1
Trypanosoma brucei hypothetical protein, conserved 0.0516 0.1564 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.0034 0.0426
Loa Loa (eye worm) hypothetical protein 0.0516 0.1564 0.34
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0068 0.011 0.0166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0058 0.0054
Schistosoma mansoni hypothetical protein 0.0516 0.1564 0.1535
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0153 0.0385 0.7062
Leishmania major 4-coumarate:coa ligase-like protein 0.0153 0.0385 0.2295
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0516 0.1564 0.3351
Echinococcus multilocularis tumor protein p63 0.121 0.382 0.3818
Loa Loa (eye worm) hypothetical protein 0.0045 0.0034 0.0074
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0121 0.0117
Mycobacterium ulcerans acyl-CoA synthetase 0.0153 0.0385 0.7062
Leishmania major hypothetical protein, conserved 0.0516 0.1564 1
Echinococcus granulosus SWI:SNF matrix associated 0.145 0.4599 0.4597
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.145 0.4599 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.0034 0.0426
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0067 0.0109
Echinococcus granulosus Upstream activation factor subunit UAF30 0.145 0.4599 0.4597
Schistosoma mansoni hypothetical protein 0.145 0.4599 0.4581
Leishmania major hypothetical protein, conserved 0.0516 0.1564 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0153 0.0385 0.2295
Mycobacterium ulcerans acyl-CoA synthetase 0.0153 0.0385 0.7062
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0516 0.1564 1
Loa Loa (eye worm) oxidoreductase 0.0045 0.0034 0.0074
Schistosoma mansoni hypothetical protein 0.0047 0.0039 0.0005
Echinococcus multilocularis SWI:SNF matrix associated 0.145 0.4599 0.4597
Brugia malayi intermediate filament protein 0.0074 0.0129 0.0244
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0045 0.0034 0.0426
Onchocerca volvulus 0.0516 0.1564 0.3351
Onchocerca volvulus 0.0074 0.0129 0.0208
Echinococcus multilocularis musashi 0.0074 0.0129 0.0125
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0516 0.1564 0.156
Schistosoma mansoni hypothetical protein 0.0047 0.0039 0.0005
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0198 0.0531 1
Echinococcus granulosus tumor protein p63 0.121 0.382 0.3818
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.004 0.0017 0.0037
Echinococcus multilocularis ring and YY1 binding protein 0.0516 0.1564 0.156
Loa Loa (eye worm) hypothetical protein 0.0083 0.0159 0.0345
Loa Loa (eye worm) hypothetical protein 0.0516 0.1564 0.34
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0198 0.0531 0.0527
Leishmania major hypothetical protein, conserved 0.0516 0.1564 1
Brugia malayi CHE-14 protein 0.0048 0.0045 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0058 0.0054
Loa Loa (eye worm) intermediate filament protein 0.0074 0.0129 0.0281
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0083 0.0159 0.0308
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.1564 0.3376
Echinococcus granulosus Zinc finger RanBP2 type 0.0516 0.1564 0.156
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.1564 0.3376
Echinococcus multilocularis zinc finger protein Ran binding 0.0516 0.1564 0.156
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.145 0.4599 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0045 0.0098
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 0.1089
Schistosoma mansoni hypothetical protein 0.0047 0.0039 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0058 0.0024
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0045 0.0034 0.0426
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0198 0.0531 0.1089
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0927 0.2899 0.2896
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0114 0.0259 0.0226
Brugia malayi Intermediate filament tail domain containing protein 0.0074 0.0129 0.0244
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0254 0.0516
Brugia malayi AMP-binding enzyme family protein 0.0153 0.0385 0.0803
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.1564 0.3376
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0045 0.0041
Loa Loa (eye worm) hypothetical protein 0.0045 0.0034 0.0074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0058 0.0126
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0516 0.1564 1
Brugia malayi MH2 domain containing protein 0.0099 0.021 0.042
Echinococcus multilocularis survival motor neuron protein 1 0.027 0.0766 0.0762
Loa Loa (eye worm) hypothetical protein 0.0114 0.0259 0.0564
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0045 0.0034 0.0074
Brugia malayi AMP-binding enzyme family protein 0.0153 0.0385 0.0803
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0516 0.1564 0.156
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0121 0.0087
Loa Loa (eye worm) hypothetical protein 0.0036 0.0004 0.001
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0045 0.0034 0.0426
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 0.0626
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.0411 0.0406
Schistosoma mansoni peptidase Clp (S14 family) 0.0198 0.0531 0.0499
Onchocerca volvulus 0.145 0.4599 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0153 0.0385 0.7062
Entamoeba histolytica acyl-coA synthetase, putative 0.0153 0.0385 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.145 0.4599 0.4597
Echinococcus multilocularis protein dispatched 1 0.0055 0.0067 0.0063
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0254 0.6256
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0153 0.0385 0.7062
Plasmodium falciparum acyl-CoA synthetase 0.0114 0.0259 0.0494
Loa Loa (eye worm) hypothetical protein 0.0114 0.0259 0.0564
Loa Loa (eye worm) hypothetical protein 0.0153 0.0385 0.0837
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0045 0.0034 0.0426
Onchocerca volvulus 0.0153 0.0385 0.0769
Entamoeba histolytica hypothetical protein 0.0072 0.0121 0.2483
Entamoeba histolytica acyl-CoA synthetase, putative 0.0153 0.0385 1
Schistosoma mansoni zinc finger protein 0.0516 0.1564 0.1535
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0254 0.0249
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0045 0.0041
Echinococcus granulosus ring and YY1 binding protein 0.0516 0.1564 0.156
Entamoeba histolytica hypothetical protein 0.0072 0.0121 0.2483
Brugia malayi latrophilin 2 splice variant baaae 0.0057 0.0073 0.0122
Echinococcus multilocularis geminin 0.0194 0.0517 0.0513
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0516 0.1564 0.3351
Echinococcus multilocularis lamin dm0 0.0074 0.0129 0.0125
Brugia malayi SWIB/MDM2 domain containing protein 0.145 0.4599 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0058 0.0054
Chlamydia trachomatis SWIB complex protein 0.145 0.4599 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0153 0.0385 0.7062
Schistosoma mansoni hypothetical protein 0.0057 0.0073 0.0039
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0045 0.0034 0.003
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0198 0.0531 0.0626
Onchocerca volvulus 0.0055 0.0067 0.0073
Onchocerca volvulus 0.0177 0.0464 0.0941
Echinococcus granulosus lamin 0.0074 0.0129 0.0125

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.588 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.389 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.363 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.21 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) 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.

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