Detailed information for compound 1032320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.548 | Formula: C8H11BrClN3O3
  • H donors: 2 H acceptors: 4 LogP: 1.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(O)c(c(n1)N1CCOCC1)Br.Cl
  • InChi: 1S/C8H10BrN3O3.ClH/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12;/h1-4H2,(H2,10,11,13,14);1H
  • InChiKey: ATGBJYOQEQMZHR-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
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine 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
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus multilocularis thymidine 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) hypothetical protein 0.002 0.0026 0.0364
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0027 0.0102
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0015 0.0006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0134 0.0125
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Loa Loa (eye worm) hypothetical protein 0.0083 0.0439 0.6246
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2746 0.2639
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0272 0.0128
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0093 0.1318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0514 0.0505
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Onchocerca volvulus Huntingtin homolog 0.0123 0.0703 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0439 1
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0359 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0328 0.0319
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0009 0.013
Echinococcus granulosus Low density lipoprotein receptor class A cysteine rich 0.002 0.0026 0.0016
Leishmania major hypothetical protein, conserved 0.0018 0.0014 0.0128
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 0.5
Schistosoma mansoni ap endonuclease 0.0038 0.0146 0.0765
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Brugia malayi hypothetical protein 0.0123 0.0703 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0198 0.0189
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0272 0.0263
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.002 0.0026 0.0364
Echinococcus multilocularis musashi 0.003 0.0093 0.0084
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.024 0.1291
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0342 0.0334
Echinococcus granulosus low density lipoprotein receptor protein 0.002 0.0026 0.0016
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.1145 0.1137
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0146 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0272 0.1473
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0272 0.3874
Mycobacterium ulcerans thymidine phosphorylase 0.1531 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.0343 0.0335
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0342 0.02
Leishmania major cathepsin L-like protease 0.0019 0.0015 0.018
Echinococcus granulosus lamin 0.003 0.0093 0.0084
Brugia malayi hypothetical protein 0.0036 0.0134 0.1902
Echinococcus granulosus cathepsin l1 0.0019 0.0015 0.0006
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0198 0.1055
Echinococcus multilocularis cysteine protease 0.0019 0.0015 0.0006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0027 0.0018
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 0.0298
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0359 1
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0272 0.0128
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 0.0298
Echinococcus granulosus low density lipoprotein receptor ldl 0.002 0.0026 0.0016
Leishmania major cathepsin L-like protease 0.0019 0.0015 0.018
Brugia malayi Bromodomain containing protein 0.0046 0.0195 0.2772
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0342 0.02
Echinococcus multilocularis low density lipoprotein receptor protein 0.002 0.0026 0.0016
Loa Loa (eye worm) hypothetical protein 0.0046 0.0195 0.278
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Onchocerca volvulus 0.002 0.0026 0.0147
Brugia malayi intermediate filament protein 0.003 0.0093 0.1318
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Schistosoma mansoni hypothetical protein 0.0288 0.1796 1
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.002 0.0026 0.0016
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0146 0.2074
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.002 0.0026 0.0016
Brugia malayi enteropeptidase precursor 0.002 0.0026 0.0364
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.1145 0.1137
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.013
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.002 0.0026 0.0364
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0514 0.0505
Toxoplasma gondii hypothetical protein 0.0028 0.0081 0.1676
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.024 0.0231
Echinococcus multilocularis basement membrane specific heparan sulfate 0.002 0.0026 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0359 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0015 0.0006
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.002 0.0026 0.0092
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0328 0.0319
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0032 0.0459
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.1318
Leishmania major cathepsin L-like protease 0.0019 0.0015 0.018
Loa Loa (eye worm) hypothetical protein 0.0084 0.045 0.6406
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0251 0.0107
Echinococcus multilocularis cysteine protease 0.0019 0.0015 0.0006
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0432 0.2746 0.2639
Schistosoma mansoni hypothetical protein 0.002 0.0026 0.0092
Leishmania major cathepsin L-like protease 0.0071 0.0359 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0514 0.0505
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0015 0.0035
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0146 0.0137
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0272 0.0263
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0342 0.02
Onchocerca volvulus Huntingtin homolog 0.0123 0.0703 1
Brugia malayi basement membrane proteoglycan precursor 0.002 0.0026 0.0364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0514 0.2823
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0015 0.0006
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0176 0.0167
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0056 0.0792
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0342 0.1865
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0198 0.1055
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0198 0.2652
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.002 0.0026 0.0364
Echinococcus granulosus basement membrane specific heparan sulfate 0.002 0.0026 0.0016
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Onchocerca volvulus Basement membrane proteoglycan homolog 0.002 0.0026 0.0147
Loa Loa (eye worm) fibroinase 0.0019 0.0015 0.022
Brugia malayi jmjC domain containing protein 0.0066 0.0328 0.4671
Brugia malayi Bromodomain containing protein 0.009 0.0484 0.6885
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0071 0.0062
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.002 0.0024 0.0015
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0342 0.1865
Loa Loa (eye worm) hypothetical protein 0.003 0.0089 0.1266
Schistosoma mansoni hypothetical protein 0.0025 0.0056 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0359 1
Schistosoma mansoni intermediate filament proteins 0.003 0.0093 0.0467
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.0439 0.043
Loa Loa (eye worm) hypothetical protein 0.0049 0.0214 0.3045
Onchocerca volvulus 0.002 0.0026 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0514 0.2823
Trypanosoma cruzi ISWI complex protein 0.0018 0.0014 0.0128
Onchocerca volvulus 0.002 0.0026 0.0147
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0015 0.018
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0009 0.013
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0343 0.187
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0251 0.0242
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0514 0.7308
Onchocerca volvulus 0.002 0.0026 0.0147
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0027 0.0102
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0146 0.3902
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0146 0.1805
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0015 0.022
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0514 0.7308
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0343 0.4885
Loa Loa (eye worm) hypothetical protein 0.0046 0.0198 0.2813
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0027 0.0018
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0247 0.3511
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0015 0.0006
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Onchocerca volvulus 0.002 0.0026 0.0147
Loa Loa (eye worm) hypothetical protein 0.0123 0.0703 1
Onchocerca volvulus 0.0046 0.0198 0.2652
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.002 0.0024 0.0015
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.002 0.0026 0.0016
Echinococcus granulosus lamin dm0 0.003 0.0093 0.0084
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Loa Loa (eye worm) hypothetical protein 0.0051 0.0229 0.3259
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0015 0.0147
Entamoeba histolytica hypothetical protein 0.0036 0.0134 0.9073
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0198 0.1055
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0198 0.0189
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0251 0.0242
Schistosoma mansoni zinc finger protein 0.0018 0.0014 0.0025
Plasmodium vivax vivapain-2 0.0019 0.0015 0.0147
Loa Loa (eye worm) intermediate filament protein 0.003 0.0093 0.1318
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0146 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0071 0.0062
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0027 0.0018
Echinococcus granulosus intermediate filament protein 0.003 0.0093 0.0084
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.024 0.0231
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Loa Loa (eye worm) cysteine protease 0.0019 0.0015 0.022
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0015 0.022
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.0439 0.1343
Toxoplasma gondii cathepsin CPL 0.0019 0.0015 0.0147
Entamoeba histolytica hypothetical protein 0.0036 0.0134 0.9073
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0342 0.7752
Echinococcus granulosus 5'partial|Low density lipoprotein receptor class A cysteine rich 0.002 0.0026 0.0016
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2746 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Loa Loa (eye worm) MBCTL1 0.0053 0.024 0.3413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0027 0.0102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Onchocerca volvulus 0.003 0.0093 0.1123
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1531 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0342 0.02
Echinococcus granulosus basement membrane specific heparan sulfate 0.002 0.0026 0.0016
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0363 0.0355
Brugia malayi Probable ClpP-like protease 0.0083 0.0439 0.6246
Echinococcus multilocularis zinc finger protein 0.0023 0.0047 0.0038
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0093 0.1318
Brugia malayi jmjC domain containing protein 0.0018 0.0009 0.013
Schistosoma mansoni hypothetical protein 0.0036 0.0134 0.0697
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.024 0.3413
Schistosoma mansoni zinc finger protein 0.0023 0.0047 0.0214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0328 0.0319
Schistosoma mansoni hypothetical protein 0.0018 0.0014 0.0025
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0015 0.018
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0343 0.187
Echinococcus multilocularis thymidine phosphorylase 0.1531 1 1
Trypanosoma cruzi ISWI complex protein 0.0018 0.0014 0.0128
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0328 0.1786
Leishmania major cathepsin L-like protease 0.0019 0.0015 0.018
Echinococcus granulosus zinc finger protein 0.0023 0.0047 0.0038
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0439 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0027 0.0102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Loa Loa (eye worm) ctsf protein 0.0019 0.0015 0.022
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.024 0.0231
Schistosoma mansoni lamin 0.003 0.0093 0.0467
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Echinococcus multilocularis lamin 0.003 0.0093 0.0084
Schistosoma mansoni hypothetical protein 0.002 0.0026 0.0092
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0015 0.022
Echinococcus granulosus low density lipoprotein receptor ldl 0.002 0.0026 0.0016
Brugia malayi jmjC domain containing protein 0.0018 0.0009 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Brugia malayi mbt repeat family protein 0.0046 0.0198 0.2813
Leishmania major cathepsin L-like protease 0.0019 0.0015 0.018
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0015 0.0006
Loa Loa (eye worm) hypothetical protein 0.0123 0.0703 1
Brugia malayi mbt repeat family protein 0.0046 0.0198 0.2813
Onchocerca volvulus 0.003 0.0093 0.1123
Brugia malayi jmjC domain containing protein 0.0018 0.0009 0.013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0176 0.0167
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0134 0.0697
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0146 0.3178
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0146 0.3178
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Entamoeba histolytica hypothetical protein 0.0036 0.0134 0.9073
Onchocerca volvulus Terribly reduced optic lobes homolog 0.002 0.0026 0.0147
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.002 0.0026 0.0092
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Loa Loa (eye worm) hypothetical protein 0.0053 0.024 0.3413
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.0391
Brugia malayi Calcium binding EGF domain containing protein 0.002 0.0026 0.0364
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0015 0.0147
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0439 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0342 0.9517
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0071 0.0344
Brugia malayi PHD-finger family protein 0.003 0.0089 0.1271
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0081 0.1676
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0363 0.0355
Schistosoma mansoni lamin 0.003 0.0093 0.0467
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0146 0.0137
Schistosoma mansoni ap endonuclease 0.0038 0.0146 0.0765
Plasmodium vivax vivapain-2 0.0019 0.0015 0.0147
Onchocerca volvulus 0.002 0.0026 0.0147
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0198 0.0189
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.002 0.0026 0.0092
Leishmania major cathepsin L-like protease 0.0071 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0134 0.0125
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.0439 0.043
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0015 0.0035
Toxoplasma gondii exonuclease III APE 0.0038 0.0146 0.3178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0514 0.2823
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0198 0.2813
Brugia malayi jmjC domain containing protein 0.0068 0.0343 0.4885
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.002 0.0026 0.0016
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0319 0.8845
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.013
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.002 0.0026 0.0016
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0081 0.1676
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0146 0.3902
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0272 0.7515
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0251 0.0637
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0146 0.3902
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.026 0.715
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0015 0.0147
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0146 0.3902
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0015 0.0006
Leishmania major cathepsin L-like protease 0.0071 0.0359 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.013
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0342 0.0334
Schistosoma mansoni bromodomain containing protein 0.0076 0.0392 0.2141
Brugia malayi CUB domain containing protein 0.002 0.0026 0.0364
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0027 0.0018
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0439 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0015 0.022
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0514 0.0505
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Onchocerca volvulus Arrow homolog 0.002 0.0026 0.0147
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.024 0.0231
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0146 0.2074
Echinococcus multilocularis basement membrane specific heparan sulfate 0.002 0.0026 0.0016
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0198 0.0189
Echinococcus multilocularis lamin dm0 0.003 0.0093 0.0084
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0272 0.0128
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.0439 0.2406
Trypanosoma brucei ISWI complex protein 0.0018 0.0014 0.0128
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0359 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.002 0.0026 0.0364
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0251 0.0107
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.002 0.0026 0.0364
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0009 0.013
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.002 0.0026 0.0092
Entamoeba histolytica hypothetical protein 0.0036 0.0134 0.9073
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.022
Brugia malayi jmjC domain containing protein 0.0018 0.0009 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0026 0.0364

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.5 uM Inhibition of human TP purified from placenta ChEMBL. 16337119
IC50 (binding) = 7.2 uM Inhibition of human TP expressed in V79 cells ChEMBL. 16337119
IC50 (binding) = 11.6 uM Inhibition of Escherichia coli TP 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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