Detailed information for compound 1010290

Basic information

Technical information
  • TDR Targets ID: 1010290
  • Name: N-[4-(1,4-dihydroxynaphthalen-2-yl)sulfonylph enyl]acetamide
  • MW: 357.38 | Formula: C18H15NO5S
  • H donors: 3 H acceptors: 5 LogP: 2.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2c(c1O)cccc2
  • InChi: 1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)
  • InChiKey: SMPMCULEFKQGJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(1,4-dihydroxy-2-naphthyl)sulfonyl]phenyl]acetamide
  • N-[4-(1,4-dihydroxynaphthalen-2-yl)sulfonylphenyl]ethanamide
  • 4-Acetamidophenyl-2-[1,4-dihydroxynaphthyl]sulfone
  • N-(4-[(1,4-Dihydroxy-2-naphthyl)sulfonyl]phenyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) Starlite/ChEMBL References
Plasmodium falciparum beta-ketoacyl-ACP synthase III Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans beta-ketoacyl synthase-like protein Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Neospora caninum 3-oxoacyl-(acyl-carrier-protein) synthase III family protein, putative Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) Get druggable targets OG5_129509 All targets in OG5_129509
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium knowlesi beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium berghei apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Chlamydia trachomatis oxoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium falciparum beta-ketoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Chalcone synthase Pks11 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 335 aa 294 aa 25.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0057 0.0059 0.2201
Onchocerca volvulus 0.0057 0.0059 0.0319
Mycobacterium ulcerans lipase LipD 0.011 0.0135 0.0188
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0766 0.1069 0.2491
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0193 0.0253 0.0505
Entamoeba histolytica acyl-CoA synthetase, putative 0.0193 0.0253 0.7426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.0135 0.0135
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.011 0.0135 0.0579
Brugia malayi Cathepsin L-like precursor 0.0017 0.0003 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0193 0.0253 0.1085
Brugia malayi Pre-SET motif family protein 0.0638 0.0886 0.3801
Onchocerca volvulus 0.0052 0.0052 0.0247
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0057 0.0059 0.0418
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0638 0.0886 0.3801
Leishmania major cathepsin L-like protease 0.0052 0.0052 0.1517
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0011
Trypanosoma cruzi cruzipain precursor, putative 0.0197 0.0258 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0059 0.0415
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0135 0.1194
Schistosoma mansoni hypothetical protein 0.0337 0.0458 0.0458
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.011 0.0135 0.0135
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0052 0.0222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0025 0.0108
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.011 0.0135 0.0579
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0376
Echinococcus granulosus cathepsin L 0.0027 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0057 0.0059 0.2201
Brugia malayi cathepsin L-like precursor 0.0035 0.0027 0.0118
Toxoplasma gondii cathepsin CPL 0.0052 0.0052 0.1879
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0193 0.0253 0.0479
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0108 0.0108
Trichomonas vaginalis antibiotic synthetase, putative 0.0057 0.0059 0.043
Leishmania major cathepsin L-like protease 0.0052 0.0052 0.1517
Mycobacterium ulcerans beta-lactamase 0.011 0.0135 0.0188
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0057 0.0059 0.0001
Loa Loa (eye worm) fibroinase 0.0052 0.0052 0.0222
Plasmodium vivax unspecified product 0.0027 0.0016 0.0127
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0041 0.0041
Mycobacterium ulcerans transcriptional regulator 0.2904 0.4113 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0052 0.0358
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0057 0.0059 0.0001
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2904 0.4113 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0057 0.0059 0.0001
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0003 0.0011
Mycobacterium tuberculosis Conserved protein 0.011 0.0135 0.0215
Onchocerca volvulus 0.011 0.0135 0.1092
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0041 0.0041
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1672 0.2359 0.2359
Leishmania major cathepsin L-like protease 0.0197 0.0258 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0027 0.0118
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0136 0.0172 0.0306
Echinococcus multilocularis cysteine protease 0.0052 0.0052 0.0052
Brugia malayi beta-lactamase family protein 0.011 0.0135 0.0579
Schistosoma mansoni cellular tumor antigen P53 0.0254 0.034 0.034
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0193 0.0253 0.0479
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0108 0.0108
Leishmania major cathepsin L-like protease 0.0052 0.0052 0.1517
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0144 0.0183 0.0307
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0766 0.1069 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0183 0.0787
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0088 0.0104 0.0104
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0703 0.0979 0.2291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0016 0.0016
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0057 0.0059 0.0028
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0027 0.0027
Trypanosoma cruzi cysteine peptidase, putative 0.0197 0.0258 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 1
Onchocerca volvulus 0.0052 0.0052 0.0247
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0766 0.1069 0.2491
Echinococcus multilocularis protein patched 0.0044 0.0041 0.0041
Schistosoma mansoni transcription factor LCR-F1 0.0251 0.0335 0.0335
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Echinococcus granulosus peptidase Clp S14 family 0.0107 0.0131 0.0131
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0135 0.5172
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0041 0.0249
Schistosoma mansoni hypothetical protein 0.0042 0.0039 0.0039
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0057 0.0059 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Plasmodium vivax vivapain-1 0.0027 0.0016 0.0127
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0176
Echinococcus multilocularis expressed conserved protein 0.0096 0.0115 0.0115
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2904 0.4113 1
Onchocerca volvulus 0.0193 0.0253 0.2292
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0052 0.0052
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0047 0.0202
Echinococcus multilocularis peptidase Clp (S14 family) 0.0107 0.0131 0.0131
Brugia malayi hypothetical protein 0.0017 0.0002 0.0008
Onchocerca volvulus 0.0052 0.0052 0.0247
Toxoplasma gondii hypothetical protein 0.0056 0.0059 0.2225
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0136 0.0172 0.0306
Echinococcus multilocularis cathepsin L 0.0027 0.0016 0.0016
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0337 0.0458 0.1965
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Mycobacterium leprae conserved hypothetical protein 0.011 0.0135 0.0188
Toxoplasma gondii ABC1 family protein 0.011 0.0135 0.6106
Mycobacterium tuberculosis Probable esterase LipL 0.011 0.0135 0.0215
Echinococcus granulosus survival motor neuron protein 1 0.1652 0.2331 0.2331
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0057 0.0059 0.2201
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0057 0.0059 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Onchocerca volvulus 0.011 0.0135 0.1092
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0211 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.0253 0.0479
Loa Loa (eye worm) beta-lactamase 0.011 0.0135 0.0579
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0015 0.048
Plasmodium vivax vivapain-3 0.0027 0.0016 0.0127
Plasmodium vivax vivapain-2 0.0052 0.0052 0.0462
Echinococcus granulosus cathepsin L cysteine protease 0.0027 0.0016 0.0016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0027 0.0114
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.0052 0.035
Trypanosoma cruzi cysteine proteinase, putative 0.0027 0.0016 0.053
Brugia malayi beta-lactamase 0.011 0.0135 0.0579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0027 0.0114
Schistosoma mansoni survival motor neuron protein 0.0337 0.0458 0.0458
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0108 0.0108
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0376
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0052 0.0358
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0145 0.0621
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0135 0.5172
Loa Loa (eye worm) cysteine protease 0.0052 0.0052 0.0222
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0145 0.0621
Trichomonas vaginalis set domain proteins, putative 0.0726 0.1011 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0193 0.0253 0.0505
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0211 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0193 0.0253 0.0479
Entamoeba histolytica hypothetical protein 0.0251 0.0335 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0136 0.0172 0.0306
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0057 0.0059 0.0253
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Brugia malayi AMP-binding enzyme family protein 0.0193 0.0253 0.1085
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0041 0.0041
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.0253 0.0479
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0052 0.0247
Onchocerca volvulus 0.0052 0.0052 0.0247
Schistosoma mansoni hypothetical protein 0.0123 0.0154 0.0154
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0017 0.0003 0.0011
Entamoeba histolytica hypothetical protein 0.0251 0.0335 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0047 0.0202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Loa Loa (eye worm) hypothetical protein 0.1652 0.2331 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.0253 0.0479
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0057 0.0059 0.1341
Mycobacterium leprae Probable lipase LipE 0.011 0.0135 0.0188
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0057 0.0059 0.1808
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.0052 0.0052
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0168 0.0168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0168 0.0168
Trypanosoma cruzi cysteine protease, putative 0.0027 0.0016 0.053
Brugia malayi cathepsin F-like cysteine proteinase 0.0017 0.0003 0.0011
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0052 0.1118
Echinococcus granulosus cathepsin l1 0.0035 0.0027 0.0027
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0251 0.0335 0.0335
Leishmania major 4-coumarate:coa ligase-like protein 0.0193 0.0253 0.9772
Leishmania major 4-coumarate:coa ligase-like protein 0.0193 0.0253 0.9772
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0052 0.1924
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Loa Loa (eye worm) oxidoreductase 0.0057 0.0059 0.0253
Loa Loa (eye worm) hypothetical protein 0.0035 0.0027 0.0118
Brugia malayi AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.011 0.0135 0.0188
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.0124 0.0533
Loa Loa (eye worm) hypothetical protein 0.0103 0.0124 0.0533
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Echinococcus granulosus cathepsin l1 0.0052 0.0052 0.0052
Brugia malayi beta-lactamase family protein 0.011 0.0135 0.0579
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0091 0.0108 0.0108
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0052 0.0247
Onchocerca volvulus 0.0057 0.0059 0.0319
Echinococcus granulosus Niemann Pick C1 protein 0.0147 0.0187 0.0187
Entamoeba histolytica fatty acid elongase, putative 0.01 0.012 0.3255
Mycobacterium tuberculosis Conserved protein 0.011 0.0135 0.0215
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0193 0.0253 0.0479
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0041 0.0176
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.0059 0.0028
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0011
Entamoeba histolytica cysteine protease, putative 0.0052 0.0052 0.1118
Loa Loa (eye worm) hypothetical protein 0.0054 0.0055 0.0236
Loa Loa (eye worm) hypothetical protein 0.0144 0.0183 0.0787
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0135 0.1194
Loa Loa (eye worm) hypothetical protein 0.0144 0.0183 0.0787
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0107 0.0131 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0059 0.0253
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0135 0.1194
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.0059 0.0028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0027 0.0118
Mycobacterium tuberculosis Conserved protein 0.011 0.0135 0.0215
Onchocerca volvulus 0.0057 0.0059 0.0319
Schistosoma mansoni acetyl-CoA synthetase 0.0057 0.0059 0.0059
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0057 0.0059 0.0059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Mycobacterium ulcerans esterase/lipase LipP 0.011 0.0135 0.0188
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0211
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0766 0.1069 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0193 0.0253 0.0479
Trypanosoma brucei hypothetical protein, conserved 0.011 0.0135 0.4929
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0027 0.0356
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0057 0.0059 0.0028
Entamoeba histolytica fatty acid elongase, putative 0.01 0.012 0.3255
Onchocerca volvulus 0.0057 0.0059 0.0319
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.011 0.0135 0.0215
Loa Loa (eye worm) hypothetical protein 0.0193 0.0253 0.1085
Entamoeba histolytica hypothetical protein 0.0251 0.0335 1
Brugia malayi AMP-binding enzyme family protein 0.0193 0.0253 0.1085
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0057 0.0059 0.0059
Mycobacterium ulcerans hypothetical protein 0.0193 0.0253 0.0479
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0016 0.0053
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0015 0.0115
Mycobacterium tuberculosis Probable conserved lipoprotein 0.011 0.0135 0.0215
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 0.1866
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0107 0.0131 0.0179
Brugia malayi Pre-SET motif family protein 0.0091 0.0108 0.0465
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0316
Leishmania major 4-coumarate:coa ligase-like protein 0.0193 0.0253 0.9772
Echinococcus multilocularis tumor protein p63 0.1735 0.2448 0.2448
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0766 0.1069 1
Entamoeba histolytica hypothetical protein 0.0251 0.0335 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0183 0.0787
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0766 0.1069 1
Echinococcus granulosus cysteine protease 0.0027 0.0016 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0016 0.0053
Schistosoma mansoni hypothetical protein 0.0033 0.0025 0.0025
Mycobacterium tuberculosis Probable lipase LipE 0.011 0.0135 0.0215
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.0154 0.0154
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.0127 0.0127
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.0124 0.3393
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0251 0.0335 0.0335
Leishmania major acetyl-CoA synthetase, putative 0.0057 0.0059 0.1808
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0057 0.0059 0.1808
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.0052 0.0052
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.0124 0.0124
Onchocerca volvulus 0.0052 0.0052 0.0247
Brugia malayi Cathepsin L-like cysteine proteinase 0.0035 0.0027 0.0118
Trypanosoma cruzi cysteine peptidase, putative 0.0197 0.0258 1
Schistosoma mansoni cathepsin s 0.0017 0.0003 0.0003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.0059 0.0028
Brugia malayi hypothetical protein 0.0026 0.0015 0.0064
Leishmania major cathepsin L-like protease 0.0197 0.0258 1
Echinococcus multilocularis microtubule associated protein 2 0.704 1 1
Mycobacterium ulcerans hypothetical protein 0.011 0.0135 0.0188
Trichomonas vaginalis antibiotic synthetase, putative 0.0057 0.0059 0.043
Loa Loa (eye worm) hypothetical protein 0.0193 0.0253 0.1085
Plasmodium vivax hypothetical protein, conserved 0.011 0.0135 0.1241
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.0154 0.0154
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.0124 0.0124
Entamoeba histolytica fatty acid elongase, putative 0.01 0.012 0.3255
Loa Loa (eye worm) hypothetical protein 0.0026 0.0015 0.0064
Mycobacterium tuberculosis Probable lipase LipD 0.011 0.0135 0.0215
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0057 0.0059 0.0028
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0016 0.0016
Toxoplasma gondii propionate-CoA ligase 0.0057 0.0059 0.224
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0057 0.0059 0.0028
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0016 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.0135 0.1194
Plasmodium vivax vivapain-2 0.0052 0.0052 0.0462
Plasmodium vivax SET domain protein, putative 0.0091 0.0108 0.0993
Leishmania major acetyl-CoA synthetase, putative 0.0057 0.0059 0.1808
Loa Loa (eye worm) hypothetical protein 0.0144 0.0183 0.0787
Echinococcus multilocularis cysteine protease 0.0052 0.0052 0.0052
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.0187 0.0187
Onchocerca volvulus 0.011 0.0135 0.1092
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0056 0.0059 0.0526
Onchocerca volvulus 0.0726 0.1011 1
Leishmania major cathepsin L-like protease 0.0052 0.0052 0.1517
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Onchocerca volvulus 0.0091 0.0108 0.0823
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.0059 0.0028
Leishmania major cathepsin L-like protease 0.0052 0.0052 0.1517
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0144 0.0183 0.0334
Echinococcus granulosus expressed conserved protein 0.0096 0.0115 0.0115
Echinococcus granulosus beta LACTamase domain containing family member 0.011 0.0135 0.0135
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0057 0.0059 0.2201
Schistosoma mansoni patched 1 0.0044 0.0041 0.0041
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.011 0.0135 0.0215
Onchocerca volvulus 0.0337 0.0458 0.4377
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Echinococcus granulosus tumor protein p63 0.1735 0.2448 0.2448
Brugia malayi hypothetical protein 0.0251 0.0335 0.1437
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.018 0.0234 0.905
Brugia malayi AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Echinococcus multilocularis protein dispatched 1 0.005 0.005 0.005
Onchocerca volvulus Cathepsin F homolog 0.0052 0.0052 0.0247
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.0052 0.035
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0052 0.0052
Brugia malayi Probable ClpP-like protease 0.0164 0.0211 0.0907
Brugia malayi AMP-binding enzyme family protein 0.0057 0.0059 0.0253
Schistosoma mansoni hypothetical protein 0.0042 0.0039 0.0039
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0052 0.0052
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.0108 0.0108
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0164 0.0211 0.1959
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0052 0.0052
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.0052 0.035
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0027 0.0016 0.053
Onchocerca volvulus 0.0052 0.0052 0.0247
Schistosoma mansoni hypothetical protein 0.0042 0.0039 0.0039
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.0108 0.0108
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2904 0.4113 1
Onchocerca volvulus 0.0254 0.034 0.3174
Loa Loa (eye worm) hypothetical protein 0.0048 0.0047 0.0202
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0057 0.0059 0.224
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0016 0.053
Onchocerca volvulus 0.0052 0.0052 0.0247
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0016 0.0069
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0052 0.0358
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0251 0.0335 0.0335
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Brugia malayi hypothetical protein 0.1652 0.2331 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.034 0.1458
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Leishmania major cathepsin L-like protease 0.0197 0.0258 1
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0052 0.1118
Entamoeba histolytica acyl-CoA synthetase, putative 0.0193 0.0253 0.7426
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0057 0.0059 0.224
Brugia malayi MH2 domain containing protein 0.0117 0.0145 0.0621
Leishmania major hypothetical protein, conserved 0.011 0.0135 0.4929
Schistosoma mansoni peptidase Clp (S14 family) 0.0164 0.0211 0.0211
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0164 0.0211 0.0377
Plasmodium falciparum acyl-CoA synthetase 0.0144 0.0183 0.16
Entamoeba histolytica acyl-coA synthetase, putative 0.0193 0.0253 0.7426
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0015 0.048
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.0052 0.0222
Plasmodium falciparum cysteine proteinase falcipain 1 0.0027 0.0016 0.0012
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0316
Loa Loa (eye worm) hypothetical protein 0.0091 0.0108 0.0465
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0016 0.0069
Trypanosoma cruzi cysteine proteinase, putative 0.0027 0.0016 0.053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Brugia malayi Cathepsin L-like precursor 0.0035 0.0027 0.0118
Schistosoma mansoni microtubule-associated protein tau 0.704 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0193 0.0253 0.0479
Entamoeba histolytica fatty acid elongase, putative 0.01 0.012 0.3255
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0091 0.0108 0.4758
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Loa Loa (eye worm) hypothetical protein 0.0193 0.0253 0.1085
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0057 0.0059 0.1808
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0107 0.0131 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0059 0.0253
Schistosoma mansoni hypothetical protein 0.0042 0.0039 0.0039
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0052 0.0052
Mycobacterium tuberculosis Probable hydrolase 0.011 0.0135 0.0215
Plasmodium vivax acetyl-CoA synthetase, putative 0.0057 0.0059 0.0528
Echinococcus multilocularis survival motor neuron protein 1 0.1652 0.2331 0.2331
Leishmania major cysteine peptidase A (CPA) 0.0052 0.0052 0.1517
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0057 0.0059 0.0253
Loa Loa (eye worm) hypothetical protein 0.0164 0.0211 0.0907
Brugia malayi CHE-14 protein 0.0044 0.0041 0.0176
Mycobacterium ulcerans TetR family transcriptional regulator 0.2904 0.4113 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0052 0.0222
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0057 0.0059 0.0028
Trypanosoma cruzi cysteine peptidase, putative 0.0197 0.0258 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0164 0.0211 0.0211
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0052 0.0358
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0766 0.1069 0.2491
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.0135 0.1194
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0025 0.0108
Loa Loa (eye worm) ctsf protein 0.0052 0.0052 0.0222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Entamoeba histolytica fatty acid elongase, putative 0.01 0.012 0.3255
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0136 0.0172 0.0306
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0766 0.1069 0.2512
Plasmodium vivax acyl-CoA synthetase, putative 0.0144 0.0183 0.1696
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0047 0.0202
Brugia malayi Cathepsin L-like precursor 0.0035 0.0027 0.0118
Brugia malayi Cathepsin L-like precursor 0.0052 0.0052 0.0222
Loa Loa (eye worm) hypothetical protein 0.011 0.0135 0.0579
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.0052 0.0222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0258 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0155 0.0198 0.7656
Trichomonas vaginalis esterase, putative 0.011 0.0135 0.1194
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.0168 0.0168

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.76 nM Inhibition of Mycobacterium tuberculosis FabH ChEMBL. 18996691
IC50 (binding) = 29.6 nM Inhibition of Plasmodium falciparum FabH ChEMBL. 18996691
IC50 (functional) = 4.98 ug ml-1 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 ChEMBL. 18996691
MIC99 (functional) = 12.3 ug ml-1 Antibacterial activity against Escherichia coli tolC mutant ChEMBL. 18996691

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18996691

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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