Detailed information for compound 1315633

Basic information

Technical information
  • TDR Targets ID: 1315633
  • Name: N-[4-[2-(1-propyltetrazol-5-yl)sulfanylacetyl ]phenyl]acetamide
  • MW: 319.382 | Formula: C14H17N5O2S
  • H donors: 1 H acceptors: 5 LogP: 1.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1nnnc1SCC(=O)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C14H17N5O2S/c1-3-8-19-14(16-17-18-19)22-9-13(21)11-4-6-12(7-5-11)15-10(2)20/h4-7H,3,8-9H2,1-2H3,(H,15,20)
  • InChiKey: RTPGZPXZJQPQAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[1-oxo-2-[(1-propyl-5-tetrazolyl)thio]ethyl]phenyl]acetamide
  • N-[4-[2-[(1-propyltetrazol-5-yl)thio]acetyl]phenyl]acetamide
  • N-[4-[2-[(1-propyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]phenyl]ethanamide
  • MLS000068082
  • ZINC04400111
  • ASN 05682433
  • N-{4-[2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-phenyl}-acetamide
  • SMR000005415

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0304 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0132 0.0108
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.014 0.3596
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.014 0.034
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.3035
Brugia malayi hypothetical protein 0.0071 0.0358 0.1617
Trypanosoma brucei glucosidase, putative 0.0036 0.014 0.399
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0285 0.0692
Brugia malayi Pre-SET motif family protein 0.0029 0.0095 0.0367
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0017 0.0042
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0221 0.7098
Echinococcus multilocularis cysteine protease 0.0016 0.0017 0.0017
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0132 0.0865
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0132 0.0865
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0031 0.0105
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0137 0.4479
Loa Loa (eye worm) inositol-1 0.0036 0.0137 0.0568
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0031 0.0485
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.014 0.4581
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.3035
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0171 0.1165
Echinococcus granulosus chromobox protein 1 0.0068 0.0339 0.0825
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.014 0.0929
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0285 0.0272
Loa Loa (eye worm) hypothetical protein 0.003 0.0104 0.0412
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0031 0.0066
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0927 0.0927
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0285 0.0272
Trichomonas vaginalis esterase, putative 0.0035 0.0132 0.0865
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0017 0.0042
Schistosoma mansoni chromobox protein 0.0068 0.0339 0.0825
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0031 0.0105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0358 0.0358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1058 0.2571
Brugia malayi hypothetical protein 0.002 0.0037 0.0095
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0031 0.0485
Brugia malayi beta-lactamase family protein 0.0035 0.0132 0.0542
Schistosoma mansoni hypothetical protein 0.0071 0.0358 0.087
Brugia malayi Fli-1 protein 0.022 0.1281 0.5991
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0219 0.0959
Echinococcus multilocularis tar DNA binding protein 0.0189 0.1085 0.1085
Brugia malayi Ets-domain containing protein 0.0073 0.0365 0.1649
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0304 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0031 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0132 0.032
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0285 0.9347
Entamoeba histolytica hypothetical protein 0.0071 0.0358 1
Entamoeba histolytica hypothetical protein 0.0071 0.0358 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1085 0.2636
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.0927 0.4315
Echinococcus granulosus tumor protein p63 0.0339 0.2018 0.4902
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0223 0.0542
Brugia malayi MH2 domain containing protein 0.0024 0.0066 0.0231
Loa Loa (eye worm) hypothetical protein 0.0038 0.0153 0.0644
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0066 0.016
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.3889
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0137 0.0908
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.1085 0.5062
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0017 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0132 0.0108
Loa Loa (eye worm) hypothetical protein 0.005 0.0223 0.0976
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.4186
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0201 0.0488
Onchocerca volvulus 0.0152 0.086 0.6384
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0145 0.0818 0.3794
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.014 0.0929
Echinococcus multilocularis cysteine protease 0.0016 0.0017 0.0017
Echinococcus granulosus GPCR family 2 0.0046 0.0201 0.0488
Schistosoma mansoni ap endonuclease 0.0019 0.0031 0.0076
Echinococcus multilocularis tumor protein p63 0.0339 0.2018 0.2018
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0132 0.0108
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.4186
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0358 0.087
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1522 0.9358 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0095 0.023
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0095 0.0095
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0285 0.0285
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0137 0.0333
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.1085 0.5062
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0132 0.0865
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.014 0.0929
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.014 0.4282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1058 0.2571
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0031 0.0076
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0031 0.0031
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0153 0.1028
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0137 0.0137
Plasmodium vivax SET domain protein, putative 0.0029 0.0095 0.6767
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0017 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0099 0.0532 0.2441
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Schistosoma mansoni smad1 5 8 and 0.0024 0.0066 0.016
Loa Loa (eye worm) fli-1 protein 0.022 0.1281 0.5991
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.014 0.0929
Schistosoma mansoni hypothetical protein 0.0046 0.0201 0.0488
Brugia malayi Pre-SET motif family protein 0.0201 0.1165 0.5443
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0104 0.268
Loa Loa (eye worm) hypothetical protein 0.0145 0.0818 0.3794
Onchocerca volvulus 0.0229 0.1338 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0031 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.086 0.3997
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0285 0.0272
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0066 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0153 0.1028
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1085 0.2636
Echinococcus multilocularis microtubule associated protein 2 0.0677 0.4117 0.4117
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0132 0.3991
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0031 0.0485
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Mycobacterium ulcerans transcriptional regulator 0.1522 0.9358 1
Onchocerca volvulus 0.0049 0.0219 0.1531
Loa Loa (eye worm) transcription factor SMAD2 0.0356 0.2127 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0201 0.087
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0171 0.1165
Echinococcus multilocularis chromobox protein 1 0.0068 0.0339 0.0339
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0132 0.0108
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0137 0.3516
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0132 0.0108
Mycobacterium ulcerans hypothetical protein 0.0035 0.0132 0.0108
Onchocerca volvulus 0.0094 0.0501 0.366
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0084 0.0503
Schistosoma mansoni hypothetical protein 0.0046 0.0201 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.023
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0132 0.032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.1058 0.2571
Loa Loa (eye worm) hypothetical protein 0.0029 0.0095 0.0367
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0046 0.0201 0.087
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1085 0.2636
Brugia malayi chromobox protein homolog 3 0.0038 0.0153 0.0644
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0088 0.0214
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.0927 0.4315
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0927 0.0927
Loa Loa (eye worm) hypothetical protein 0.0099 0.0532 0.2441
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.0164 0.0398
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0201 0.087
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.0365 0.0365
Brugia malayi MH2 domain containing protein 0.0024 0.0066 0.0231
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0104 0.7605
Loa Loa (eye worm) RNA binding protein 0.0189 0.1085 0.5062
Echinococcus granulosus smad 0.0024 0.0066 0.016
Brugia malayi TAR-binding protein 0.0189 0.1085 0.5062
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0066 0.016
Loa Loa (eye worm) beta-lactamase 0.0035 0.0132 0.0542
Onchocerca volvulus 0.003 0.0102 0.0639
Loa Loa (eye worm) hypothetical protein 0.024 0.1407 0.6586
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.014 0.3596
Entamoeba histolytica hypothetical protein 0.0071 0.0358 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.014 0.0929
Schistosoma mansoni smad1 5 8 and 0.0024 0.0066 0.016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0145 0.0818 0.3794
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0304 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.0201 0.0488
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0285 0.0272
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0304 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.1058 0.2571
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 1
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.1407 0.1407
Schistosoma mansoni ap endonuclease 0.0019 0.0031 0.0076
Schistosoma mansoni hypothetical protein 0.0046 0.0201 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.023
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.014 0.4282
Brugia malayi hypothetical protein 0.0152 0.086 0.3997
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.0927 0.2253
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0285 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1338 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0066 0.0231
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.014 0.0929
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.014 0.014
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0132 0.3991
Echinococcus granulosus survival motor neuron protein 1 0.024 0.1407 0.3417
Brugia malayi beta-lactamase 0.0035 0.0132 0.0542
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0031 0.0408
Brugia malayi Heterochromatin protein 1 0.0068 0.0339 0.1528
Mycobacterium tuberculosis Conserved protein 0.0035 0.0132 0.0108
Echinococcus granulosus microtubule associated protein 2 0.0677 0.4117 1
Trichomonas vaginalis conserved hypothetical protein 0.0169 0.0966 0.718
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1522 0.9358 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.0365 0.1649
Mycobacterium ulcerans beta-lactamase 0.0035 0.0132 0.0108
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0137 1
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.0365 0.0887
Brugia malayi MH1 domain containing protein 0.0024 0.0066 0.0231
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0066 0.016
Loa Loa (eye worm) hypothetical protein 0.003 0.0102 0.04
Schistosoma mansoni alpha-glucosidase 0.014 0.0787 0.191
Onchocerca volvulus 0.0035 0.0132 0.0865
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Echinococcus granulosus tar DNA binding protein 0.0189 0.1085 0.2636
Loa Loa (eye worm) MH2 domain-containing protein 0.0356 0.2127 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.1058 0.4935
Toxoplasma gondii ABC1 family protein 0.0035 0.0132 0.427
Schistosoma mansoni hypothetical protein 0.0099 0.0532 0.1293
Onchocerca volvulus 0.005 0.0223 0.1558
Schistosoma mansoni chromobox protein 0.0068 0.0339 0.0825
Onchocerca volvulus 0.004 0.0164 0.1111
Echinococcus granulosus chromobox protein 1 0.0068 0.0339 0.0825
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Echinococcus granulosus Smad4 0.0024 0.0066 0.016
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0066 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0145 0.0818 0.3794
Schistosoma mansoni smad1 5 8 and 0.0024 0.0066 0.016
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1085 0.2636
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0132 0.0108
Mycobacterium ulcerans TetR family transcriptional regulator 0.1522 0.9358 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0132 0.032
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0031 0.1216
Brugia malayi MH1 domain containing protein 0.0024 0.0066 0.0231
Loa Loa (eye worm) hypothetical protein 0.0174 0.0995 0.4636
Brugia malayi RNA binding protein 0.0189 0.1085 0.5062
Loa Loa (eye worm) Smad1 0.0024 0.0066 0.0231
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0132 0.0542
Echinococcus multilocularis Smad4 0.0024 0.0066 0.0066
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0339 0.244
Leishmania major hypothetical protein, conserved 0.0035 0.0132 0.3991
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0132 0.0108
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0017 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0031 0.1599
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0201 0.087
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1085 0.2636
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0017 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1058 0.2571
Schistosoma mansoni microtubule-associated protein tau 0.0677 0.4117 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0132 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0339 0.244
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0095 0.0095
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0084 0.0503
Brugia malayi Smad1 0.0024 0.0066 0.0231
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0132 0.0132
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0132 0.0019
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0017 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.014 0.4282
Schistosoma mansoni Smad4 0.0024 0.0066 0.016
Leishmania major cathepsin L-like protease 0.0063 0.0304 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0219 0.0533
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0132 0.0108
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0132 0.0108
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0171 0.1165
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0201 0.0201
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 1
Brugia malayi beta-lactamase family protein 0.0035 0.0132 0.0542
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0132 0.0108
Echinococcus granulosus cathepsin l1 0.0016 0.0017 0.0042
Loa Loa (eye worm) hypothetical protein 0.0062 0.03 0.134
Schistosoma mansoni smad 0.0024 0.0066 0.016
Brugia malayi hypothetical protein 0.003 0.0104 0.0412
Leishmania major cathepsin L-like protease 0.0063 0.0304 1
Echinococcus multilocularis GPCR, family 2 0.0046 0.0201 0.0201
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.1165 0.5443
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0095 0.2889
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.1058 0.4935
Mycobacterium ulcerans lipase LipD 0.0035 0.0132 0.0108
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0174 0.0995 0.4636
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0132 0.3684
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0137 0.4186
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.1522 0.9358 1
Entamoeba histolytica hypothetical protein 0.0071 0.0358 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.027 0.8824
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0137 0.0908
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0137 0.0114
Schistosoma mansoni hypothetical protein 0.0049 0.0219 0.0533
Leishmania major cathepsin L-like protease 0.0063 0.0304 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1297 0.1357
Loa Loa (eye worm) TAR-binding protein 0.0189 0.1085 0.5062
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.0201 0.0201
Schistosoma mansoni inositol monophosphatase 0.0036 0.0137 0.0333
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0285 0.0692
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.014 0.0929
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0132 0.0865
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.1058 0.1058
Onchocerca volvulus 0.0035 0.0132 0.0865
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0031 0.0066
Echinococcus multilocularis smad 0.0024 0.0066 0.0066
Schistosoma mansoni inositol monophosphatase 0.0036 0.0137 0.0333
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0358 0.087
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0137 0.0908
Onchocerca volvulus 0.0035 0.0132 0.0865
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.014 0.0581
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.0339 0.0339
Brugia malayi hypothetical protein 0.024 0.1407 0.6586
Brugia malayi MH2 domain containing protein 0.0356 0.2127 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0339 0.1528
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0104 0.3247
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0132 0.0108
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0132 0.0542
Toxoplasma gondii exonuclease III APE 0.0019 0.0031 0.0519
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0304 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0153 0.1028
Schistosoma mansoni alpha-glucosidase 0.014 0.0787 0.191
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.014 0.0929
Schistosoma mansoni ets-related 0.022 0.1281 0.3112
Schistosoma mansoni alpha glucosidase 0.0036 0.014 0.034
Leishmania major hypothetical protein, conserved 0.003 0.0104 0.3035
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0542
Schistosoma mansoni hypothetical protein 0.0046 0.0201 0.0488
Brugia malayi Ets-domain containing protein 0.0073 0.0365 0.1649
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.1058 0.1058
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0114 0.0089
Schistosoma mansoni gabp alpha 0.0073 0.0365 0.0887
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0285 0.0692
Brugia malayi Inositol-1 0.0036 0.0137 0.0568
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0132 0.0865
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.014 0.0929
Mycobacterium leprae Probable lipase LipE 0.0035 0.0132 0.0019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.014 0.0581

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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