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

Hover on a compound node to display the structore

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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.