Detailed information for compound 207126

Basic information

Technical information
  • TDR Targets ID: 207126
  • Name: 2-(1,3-dioxoisoindol-2-yl)ethoxy-hexylphosphi nic acid
  • MW: 339.323 | Formula: C16H22NO5P
  • H donors: 1 H acceptors: 4 LogP: 1.94 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCP(=O)(OCCN1C(=O)c2c(C1=O)cccc2)O
  • InChi: 1S/C16H22NO5P/c1-2-3-4-7-12-23(20,21)22-11-10-17-15(18)13-8-5-6-9-14(13)16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21)
  • InChiKey: JZPUNDIMGGPQBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1,3-dioxoisoindolin-2-yl)ethoxy-hexyl-phosphinic acid
  • 2-(1,3-dioxo-2-isoindolinyl)ethoxy-hexylphosphinic acid
  • 2-(1,3-dioxoisoindol-2-yl)ethoxy-hexyl-phosphinic acid
  • hexyl(2-phthalimidoethoxy)phosphinic acid
  • 2-(1,3-diketoisoindolin-2-yl)ethoxy-hexyl-phosphinic acid
  • AIDS-212320
  • AIDS212320
  • Phosphonic acid, hexyl-, mono[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) Get druggable targets OG5_237839 All targets in OG5_237839
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) Get druggable targets OG5_237839 All targets in OG5_237839
Mycobacterium ulcerans secreted antigen 85-C FbpC Get druggable targets OG5_237839 All targets in OG5_237839
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 tuberculosis Secreted antigen 85-a FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.0043 0.0315 0.0294
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0044 0.0138
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0265 0.0844
Echinococcus multilocularis pyruvate kinase 0.0038 0.0265 0.029
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.1206 0.156
Onchocerca volvulus 0.0016 0.0044 0.0375
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.1206 0.156
Mycobacterium tuberculosis Secreted MPT51/MPB51 antigen protein FbpD (MPT51/MPB51 antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-bind 0.0043 0.0315 0.0294
Brugia malayi Muscleblind-like protein 0.0329 0.3136 1
Mycobacterium ulcerans hypothetical protein 0.0055 0.0425 0.0383
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0044 0.0139
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0288 0.0267
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0044 0.0022
Loa Loa (eye worm) hypothetical protein 0.0129 0.1157 0.3691
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0265 0.0844
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0295 0.0252
Schistosoma mansoni microtubule-associated protein tau 0.0794 0.7735 1
Onchocerca volvulus 0.0041 0.0295 0.2545
Entamoeba histolytica hypothetical protein 0.0079 0.0668 1
Brugia malayi hypothetical protein 0.0129 0.1157 0.3691
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0668 0.0733
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0265 0.0244
Echinococcus granulosus microtubule associated protein 2 0.0794 0.7735 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0425 0.0383
Echinococcus granulosus neuropeptide s receptor 0.0532 0.5145 0.6652
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0295 0.0323
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0295 0.0274
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.0425 0.0383
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0265 0.2285
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0933 0.9109 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0295 0.216
Echinococcus granulosus pyruvate kinase 0.002 0.008 0.0103
Echinococcus granulosus muscleblind protein 0.0329 0.3136 0.4054
Mycobacterium ulcerans beta-lactamase 0.0041 0.0295 0.0252
Mycobacterium ulcerans hypothetical protein 0.0043 0.0315 0.0273
Loa Loa (eye worm) hypothetical protein 0.0055 0.0425 0.1354
Mycobacterium leprae Probable lipase LipE 0.0041 0.0295 0.0252
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.0044 0.0056
Leishmania major pyruvate kinase 0.0038 0.0265 0.1901
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Echinococcus multilocularis pyruvate kinase 0.002 0.008 0.0088
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0265 0.2285
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0266 0.0245
Schistosoma mansoni pyruvate kinase 0.0038 0.0265 0.0342
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.0919
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0295 0.0274
Mycobacterium ulcerans lipase LipD 0.0041 0.0295 0.0252
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0265 0.8802
Mycobacterium leprae SECRETED ANTIGEN 85-B FBPB (85B) (ANTIGEN 85 COMPLEX B) (MYCOLYL TRANSFERASE 85B) (FIBRONECTIN-BINDING PROTEIN B) (EXTRACELLULAR 0.0043 0.0315 0.0273
Brugia malayi Esterase D 0.0043 0.0315 0.1004
Onchocerca volvulus 0.0055 0.0425 0.3667
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0044 0.0022
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.1023 1 1
Entamoeba histolytica hypothetical protein 0.0079 0.0668 1
Schistosoma mansoni hypothetical protein 0.0079 0.0668 0.0864
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0295 1
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0265 0.8802
Mycobacterium ulcerans secreted Mpt51/Mpb51 antigen protein FbpD 0.0043 0.0315 0.0273
Loa Loa (eye worm) esterase D 0.0043 0.0315 0.1004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1206 0.1168
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.008 0.0313
Mycobacterium ulcerans hypothetical protein 0.0043 0.0315 0.0273
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0134 0.1206 0.156
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.0425 0.0383
Mycobacterium ulcerans secreted antigen 85-B FbpB 0.0043 0.0315 0.0273
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0044 0.0022
Echinococcus multilocularis neuropeptide s receptor 0.0532 0.5145 0.5648
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0425 0.1354
Echinococcus multilocularis pyruvate kinase 0.002 0.008 0.0088
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0295 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0265 0.0844
Loa Loa (eye worm) beta-lactamase 0.0041 0.0295 0.0939
Loa Loa (eye worm) oxidoreductase 0.0016 0.0044 0.0138
Entamoeba histolytica acyl-coA synthetase, putative 0.0055 0.0425 0.6101
Echinococcus granulosus S formylglutathione hydrolase 0.0043 0.0315 0.0407
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.1023 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0315 0.0294
Plasmodium falciparum pyruvate kinase 2 0.002 0.008 0.1488
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0425 0.0383
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.0919
Onchocerca volvulus 0.0016 0.0044 0.0375
Loa Loa (eye worm) hypothetical protein 0.0055 0.0425 0.1354
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0265 0.0844
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0055 0.0425 0.0404
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0265 0.1901
Loa Loa (eye worm) hypothetical protein 0.0129 0.1157 0.3691
Echinococcus multilocularis geminin 0.0178 0.1645 0.1806
Echinococcus granulosus pyruvate kinase 0.0038 0.0265 0.0342
Onchocerca volvulus 0.0041 0.0295 0.2545
Onchocerca volvulus 0.0016 0.0044 0.0375
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0134 0.1206 1
Echinococcus granulosus neuropeptide receptor A26 0.0532 0.5145 0.6652
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0265 0.0222
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0044 0.0022
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0288 0.0246
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0044 0.0022
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0265 0.0844
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0265 0.8802
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0043 0.0315 0.0294
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0265 0.8802
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0266 0.0245
Mycobacterium tuberculosis Conserved protein 0.0041 0.0295 0.0274
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0295 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1206 0.1168
Onchocerca volvulus 0.0041 0.0295 0.2545
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.015 0.1702
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0425 0.0383
Loa Loa (eye worm) hypothetical protein 0.0055 0.0425 0.1354
Mycobacterium ulcerans hypothetical protein 0.0041 0.0295 0.0252
Echinococcus multilocularis muscleblind protein 1 0.0329 0.3136 0.3442
Mycobacterium ulcerans hypothetical protein 0.0043 0.0315 0.0273
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0288 0.974
Giardia lamblia Pyruvate kinase 0.0038 0.0265 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.0138
Mycobacterium ulcerans hypothetical protein 0.0043 0.0315 0.0273
Echinococcus multilocularis neuropeptide receptor A26 0.0532 0.5145 0.5648
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.015 0.0477
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0295 0.0381
Echinococcus multilocularis microtubule associated protein 2 0.0794 0.7735 0.8491
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0044 0.0048
Mycobacterium tuberculosis Conserved protein 0.0041 0.0295 0.0274
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0425 0.1354
Loa Loa (eye worm) hypothetical protein 0.0329 0.3136 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.0919
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0265 0.0222
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0266 0.0245
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0295 0.0274
Echinococcus granulosus pyruvate kinase 0.002 0.008 0.0103
Schistosoma mansoni hypothetical protein 0.0178 0.1645 0.2127
Brugia malayi hypothetical protein 0.0079 0.0668 0.213
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0265 0.8802
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0295 0.0381
Mycobacterium tuberculosis Secreted antigen 85-B FbpB (85B) (antigen 85 complex B) (mycolyl transferase 85B) (fibronectin-binding protein B) (extracellular 0.0043 0.0315 0.0294
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0425 0.1354
Entamoeba histolytica hypothetical protein 0.0079 0.0668 1
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0044 0.0139
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0044 0.0022
Mycobacterium tuberculosis Probable conserved exported protein 0.0043 0.0315 0.0294
Toxoplasma gondii aldehyde dehydrogenase 0.0134 0.1206 1
Schistosoma mansoni pyruvate kinase 0.0038 0.0265 0.0342
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0044 0.0139
Entamoeba histolytica hypothetical protein 0.0079 0.0668 1
Plasmodium falciparum pyruvate kinase 0.0038 0.0265 0.9037
Leishmania major hypothetical protein, conserved 0.0041 0.0295 0.216
Brugia malayi beta-lactamase 0.0041 0.0295 0.094
Echinococcus granulosus pyruvate kinase 0.002 0.008 0.0103
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0425 0.0404
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0265 0.8802
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0134 0.1206 0.1324
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0265 0.2285
Brugia malayi beta-lactamase family protein 0.0041 0.0295 0.094
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0055 0.0425 0.0383
Schistosoma mansoni hypothetical protein 0.0178 0.1645 0.2127
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0288 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0668 0.0864
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.008 0.1449
Loa Loa (eye worm) hypothetical protein 0.0038 0.0265 0.0844
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0425 0.6101
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0044 0.0022
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.0425 0.3276
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0044 0.0138
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.0425 0.3276
Leishmania major pyruvate kinase 0.0038 0.0265 0.1901
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0266 0.0245
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0295 1
Mycobacterium leprae Secreted antigen 85A FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.0043 0.0315 0.0273
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0134 0.1206 0.1187
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0295 0.0274
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0295 1
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.0043 0.0315 0.4345
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.0919
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0295 0.0274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1206 0.1168
Echinococcus multilocularis S formylglutathione hydrolase 0.0043 0.0315 0.0346
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0295 0.0939
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0016 0.0044 0.0139
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2502 0.2485
Loa Loa (eye worm) hypothetical protein 0.0016 0.0044 0.0138
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0044 0.0022
Echinococcus granulosus pyruvate kinase 0.0038 0.0265 0.0342
Mycobacterium ulcerans secreted antigen 85-A FbpA 0.0043 0.0315 0.0273
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0668 0.0864
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0044 0.0139
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0044 0.0056
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.0425 0.3276
Onchocerca volvulus Huntingtin homolog 0.0129 0.1157 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.3136 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0044 0.0022
Brugia malayi beta-lactamase family protein 0.0041 0.0295 0.094
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0295 0.0381
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0055 0.0425 0.0383
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0295 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0425 0.0383
Echinococcus granulosus geminin 0.0178 0.1645 0.2127
Echinococcus multilocularis pyruvate kinase 0.0038 0.0265 0.029
Mycobacterium tuberculosis Possible conserved membrane protein 0.0043 0.0315 0.0294
Onchocerca volvulus Huntingtin homolog 0.0129 0.1157 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0288 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0425 0.6101
Echinococcus multilocularis pyruvate kinase 0.003 0.0185 0.0203
Onchocerca volvulus 0.0016 0.0044 0.0375
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0055 0.0425 0.0383
Schistosoma mansoni pyruvate kinase 0.002 0.008 0.0103
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0295 1
Echinococcus multilocularis pyruvate kinase 0.002 0.008 0.0088
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0295 0.0252
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0044 0.0022
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0295 0.094
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.0919
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0295 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0295 0.0252
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0295 0.0274
Trichomonas vaginalis esterase, putative 0.0041 0.0295 1
Echinococcus multilocularis muscleblind protein 0.0329 0.3136 0.3442
Mycobacterium tuberculosis Conserved protein 0.0041 0.0295 0.0274
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.0939
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0016 0.0044 0.0139
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0044 0.0022
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0265 0.8802
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0295 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.015 0.0477
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0295 0.0274

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.39 uM In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis ChEMBL. 15177473
IC50 (binding) = 4.39 uM In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis ChEMBL. 15177473

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

1 literature reference was collected for this gene.

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