Detailed information for compound 1029968

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.124 | Formula: C9H13Cl2N3O2
  • H donors: 2 H acceptors: 4 LogP: 2.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(O)c(c(n1)N1CCCCC1)Cl.Cl
  • InChi: 1S/C9H12ClN3O2.ClH/c10-6-7(11-9(15)12-8(6)14)13-4-2-1-3-5-13;/h1-5H2,(H2,11,12,14,15);1H
  • InChiKey: BOUXRWRHUIDMFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli thymidine phosphorylase Starlite/ChEMBL References
Homo sapiens thymidine phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium ulcerans thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) Get druggable targets OG5_131632 All targets in OG5_131632
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
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0259 0.2248
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0141 0.0379
Schistosoma mansoni hypothetical protein 0.0511 0.3053 1
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0173 0.0173
Brugia malayi AMP-binding enzyme family protein 0.0024 0.006 0.0484
Loa Loa (eye worm) hypothetical protein 0.0025 0.0069 0.0564
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0159 0.0814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0197 0.0197
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.1134 1
Echinococcus multilocularis cpg binding protein 0.0059 0.0279 0.0279
Schistosoma mansoni inositol monophosphatase 0.0041 0.0164 0.0452
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0028 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0159 0.043
Onchocerca volvulus 0.0056 0.0259 0.464
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0023 0.2091
Brugia malayi beta-lactamase 0.0037 0.0141 0.1201
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0432 0.2571 0.2739
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0173 0.1483
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0141 0.0379
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0159 0.0814
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1017 0.1017
Echinococcus granulosus cpg binding protein 0.0059 0.0279 0.0299
Mycobacterium ulcerans hypothetical protein 0.0314 0.1845 0.1958
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0028 0.0005
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2571 0.2743
Echinococcus multilocularis GPCR, family 2 0.0063 0.03 0.03
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.1892 1
Schistosoma mansoni hypothetical protein 0.0063 0.03 0.0901
Brugia malayi beta-lactamase family protein 0.0037 0.0141 0.1201
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0141 0.0151
Schistosoma mansoni hypothetical protein 0.0511 0.3053 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0119 0.0646 0.2042
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.006 0.0046
Schistosoma mansoni cpg binding protein 0.0059 0.0279 0.083
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0028 0.0118
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0069 0.4905
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0141 0.1201
Toxoplasma gondii ABC1 family protein 0.0037 0.0141 0.2098
Loa Loa (eye worm) beta-lactamase 0.0037 0.0141 0.1201
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0028 0.0062
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0028 0.0062
Echinococcus multilocularis muscleblind protein 1 0.0148 0.0825 0.0825
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0141 0.0379
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.006 0.004
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0159 0.0814
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0164 0.0444
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0141 0.0718
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.0361 0.3152
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0069 0.619
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.03 0.0322
Loa Loa (eye worm) hypothetical protein 0.0148 0.0825 0.7264
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.006 0.0153
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0153 0.0153
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.043 0.1187
Schistosoma mansoni alpha-glucosidase 0.0154 0.0863 0.2762
Brugia malayi CXXC zinc finger family protein 0.0056 0.0259 0.2248
Schistosoma mansoni cpg binding protein 0.0059 0.0279 0.083
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0159 0.0814
Mycobacterium tuberculosis Conserved protein 0.0037 0.0141 0.0133
Treponema pallidum fructose-bisphosphate aldolase 0.0322 0.1892 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.03 0.2612
Brugia malayi PHD-finger family protein 0.0032 0.0112 0.0941
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.03 0.0322
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.006 0.004
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0164 0.0842
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0164 0.0842
Mycobacterium tuberculosis Conserved protein 0.0037 0.0141 0.0133
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0361 0.0995
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0141 0.0133
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.0881 0.3268
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0141 0.0141
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0141 0.0133
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.0361 0.1102
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0164 0.0164
Schistosoma mansoni alpha glucosidase 0.004 0.0159 0.0434
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0112 0.7923
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0023 0.1657
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.0881 0.0927
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.043 0.1187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.006 0.0289
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0159 0.043
Echinococcus granulosus thymidine phosphorylase 0.1531 0.9325 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0138 0.0311
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0484
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0173 0.048
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0189 0.0189
Trypanosoma brucei glucosidase, putative 0.004 0.0159 0.043
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0028 0.0118
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0028 0.0197
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.0543 0.1502
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0141 0.0718
Echinococcus multilocularis peregrin 0.0032 0.0112 0.0112
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.0361 0.0361
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.043 0.1187
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0112 0.1556
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0197 0.0559
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0159 0.0814
Echinococcus granulosus peregrin 0.0032 0.0112 0.012
Mycobacterium leprae Probable lipase LipE 0.0037 0.0141 0.0322
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0173 0.0185
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0028 0.003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0197 0.0211
Loa Loa (eye worm) hypothetical protein 0.0055 0.0253 0.219
Loa Loa (eye worm) hypothetical protein 0.0032 0.0112 0.0941
Schistosoma mansoni cpg binding protein 0.0056 0.0259 0.0765
Echinococcus multilocularis p2X purinoceptor 4 0.0066 0.0318 0.0317
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0028 0.0197
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.1017 0.8964
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.0361 0.1885
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0028 0.0028
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0141 0.0127
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.03 0.03
Brugia malayi jmjC domain containing protein 0.0105 0.0561 0.4919
Schistosoma mansoni hypothetical protein 0.0136 0.0748 0.238
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0159 0.2433
Schistosoma mansoni P2X receptor subunit 0.0066 0.0318 0.0958
Echinococcus multilocularis p2X purinoceptor 4 0.0066 0.0318 0.0317
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.006 0.0289
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0157
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0159 0.1361
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0141 0.0374
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0159 0.0814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0197 0.0559
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0197 0.1697
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0157
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0141 0.0133
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0023 0.0006
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0157
Loa Loa (eye worm) hypothetical protein 0.0148 0.0825 0.7264
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0141 0.0718
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0159 0.0814
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0159 0.0171
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Onchocerca volvulus 0.0037 0.0141 0.2479
Schistosoma mansoni hypothetical protein 0.0063 0.03 0.0901
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.006 0.004
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0141 0.0718
Brugia malayi beta-lactamase family protein 0.0037 0.0141 0.1201
Mycobacterium ulcerans beta-lactamase 0.0037 0.0141 0.0127
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0484
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Schistosoma mansoni alpha-glucosidase 0.0154 0.0863 0.2762
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0173 0.0185
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0164 0.0842
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0141 0.0133
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0112 0.0277
Echinococcus multilocularis geminin 0.0511 0.3053 0.3053
Schistosoma mansoni hypothetical protein 0.0401 0.2379 0.7772
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0141 0.0133
Loa Loa (eye worm) histone methyltransferase 0.0017 0.0021 0.0138
Echinococcus granulosus GPCR family 2 0.0063 0.03 0.0322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0197 0.0197
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0164 0.0842
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0164 0.0444
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Echinococcus multilocularis p2X purinoceptor 4 0.0066 0.0318 0.0317
Echinococcus multilocularis muscleblind protein 0.0148 0.0825 0.0825
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.0361 0.0387
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.1892 1
Schistosoma mansoni P2X receptor subunit 0.0066 0.0318 0.0958
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0112 0.1556
Schistosoma mansoni hypothetical protein 0.0063 0.03 0.0901
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0141 0.0374
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0189 0.0203
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0361 0.0995
Echinococcus granulosus p2X purinoceptor 4 0.0066 0.0318 0.034
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0069 0.0178
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0322 0.2803
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0164 0.0444
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0141 1
Onchocerca volvulus 0.0024 0.006 0.0999
Onchocerca volvulus Alhambra homolog 0.0032 0.0112 0.1943
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0141 0.0127
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.0361 0.0995
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0164 0.0176
Echinococcus granulosus p2X purinoceptor 4 0.0066 0.0318 0.034
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.1134 1
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0428 0.1322
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0173 0.048
Brugia malayi AMP-binding enzyme family protein 0.0024 0.006 0.0484
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0164 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0141 0.0127
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0164 0.0444
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0157
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2571 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0164 0.0452
Loa Loa (eye worm) hypothetical protein 0.0037 0.0141 0.1201
Echinococcus granulosus dnaJ subfamily B 0.0401 0.2379 0.2551
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0141 0.0133
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0141 0.0322
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0596 0.358 1
Plasmodium falciparum phd finger protein, putative 0.0032 0.0112 1
Echinococcus granulosus muscleblind protein 0.0148 0.0825 0.0885
Mycobacterium ulcerans lipase LipD 0.0037 0.0141 0.0127
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0138 0.013
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.1649 0.4598
Leishmania major hypothetical protein, conserved 0.0025 0.0069 0.0178
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0164 0.2531
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.006 0.004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.03 0.03
Brugia malayi Muscleblind-like protein 0.0148 0.0825 0.7264
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.043 0.1187
Giardia lamblia PHD finger protein 15 0.0032 0.0112 0.045
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0198 0.1134 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0023 0.5
Brugia malayi Latrophilin receptor protein 2 0.0063 0.03 0.2612
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0361 0.0995
Echinococcus granulosus p2X purinoceptor 4 0.0066 0.0318 0.034
Brugia malayi Inositol-1 0.0041 0.0164 0.1408
Onchocerca volvulus 0.0104 0.0552 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.0881 0.0922
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0159 0.0814
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.006 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0159 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0141 0.0718
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0028 0.1973
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.0748 0.658
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.1134 1
Brugia malayi hypothetical protein 0.0016 0.0014 0.0078
Toxoplasma gondii hypothetical protein 0.0096 0.0506 0.8854
Loa Loa (eye worm) inositol-1 0.0041 0.0164 0.1408
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 0.1892 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0141 0.1201
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1017 0.1017
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0157
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0112 0.012
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0596 0.358 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0069 0.619
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0164 0.0152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0197 0.0211
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0105 0.0561 0.0601
Toxoplasma gondii histone lysine methyltransferase SET1 0.0106 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.0748 0.658
Schistosoma mansoni hypothetical protein 0.0032 0.0112 0.0277
Brugia malayi hypothetical protein 0.0025 0.0069 0.0564
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.03 0.2612
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0028 0.249
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0282 0.1649 0.4598
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.006 0.0289
Brugia malayi Bromodomain containing protein 0.0032 0.0112 0.0941
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Trichomonas vaginalis esterase, putative 0.0037 0.0141 0.0718
Schistosoma mansoni hypothetical protein 0.0063 0.03 0.0901
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0141 0.0133
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0596 0.358 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1362 0.1445
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.1017 0.8964
Schistosoma mansoni P2X receptor subunit 0.0066 0.0318 0.0958
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0112 0.0112
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0159 0.1361
Mycobacterium tuberculosis Conserved hypothetical protein 0.0314 0.1845 0.1964
Mycobacterium ulcerans thymidine phosphorylase 0.1531 0.9325 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0282 0.1649 0.4598
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.1017 0.109
Brugia malayi AMP-binding enzyme family protein 0.0024 0.006 0.0484
Leishmania major mitochondrial DNA polymerase beta 0.0596 0.358 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1531 0.9325 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.006 0.004
Echinococcus multilocularis thymidine phosphorylase 0.1531 0.9325 0.9325
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0105 0.0561 0.056
Onchocerca volvulus 0.0037 0.0141 0.2479
Mycobacterium ulcerans hypothetical protein 0.0024 0.006 0.004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0021 0.0021
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0028 0.0011
Brugia malayi jmjC domain containing protein 0.0042 0.0173 0.1483
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0069 0.0178
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0069 0.0766
Loa Loa (eye worm) hypothetical protein 0.0063 0.03 0.2612
Echinococcus granulosus geminin 0.0511 0.3053 0.3274
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0159 0.0814
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.2379 0.2379
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0069 0.0178
Onchocerca volvulus 0.0037 0.0141 0.2479
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.006 0.0153
Leishmania major hypothetical protein, conserved 0.0037 0.0141 0.0379
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0112 0.0941
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.006 0.004
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0484
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0028 0.0062
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0159 0.0814
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0197 0.1697
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0197 0.0559
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0028 0.0062
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0021 0.0023
Mycobacterium tuberculosis Conserved protein 0.0037 0.0141 0.0133
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0159 0.0159
Schistosoma mansoni P2X receptor subunit 0.0066 0.0318 0.0958
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.006 0.0046
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.0361 0.3152
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0024 0.0065 0.0122
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1892 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0159 0.043
Brugia malayi F/Y-rich N-terminus family protein 0.0028 0.0084 0.0697

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.3 uM Inhibition of Escherichia coli TP ChEMBL. 16337119
IC50 (binding) = 12.1 uM Inhibition of human TP purified from placenta ChEMBL. 16337119
IC50 (binding) = 15.7 uM Inhibition of human TP expressed in V79 cells ChEMBL. 16337119

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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