Detailed information for compound 39576

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 277.748 | Formula: C11H20ClN3O3
  • H donors: 0 H acceptors: 2 LogP: 2.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)C(C(OCn1cc[n+](c1C)C)C)(C)C.[Cl-]
  • InChi: 1S/C11H20N3O3.ClH/c1-9(11(3,4)14(15)16)17-8-13-7-6-12(5)10(13)2;/h6-7,9H,8H2,1-5H3;1H/q+1;/p-1
  • InChiKey: CPBMDDSTYSRACX-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni lipoxygenase 0.0056 0.0232 0.0306
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0126 0.0126
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Trichomonas vaginalis thymidine kinase, putative 0.0772 0.4698 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0111 0.0182
Loa Loa (eye worm) hypothetical protein 0.0054 0.0221 0.1612
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0317 0.2311
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0085 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0188 0.1372
Loa Loa (eye worm) hypothetical protein 0.0239 0.1372 1
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.1234 0.7578 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0147 0.08 0.5639
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0085 0.0619
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0203 0.2449
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0074 0.0616
Schistosoma mansoni hypothetical protein 0.0147 0.08 0.1055
Echinococcus granulosus intermediate filament protein 0.0054 0.0221 0.0292
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0126 0.0214
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0065
Loa Loa (eye worm) hypothetical protein 0.0051 0.0203 0.1476
Loa Loa (eye worm) doublecortin family protein 0.002 0.0009 0.0065
Schistosoma mansoni hypothetical protein 0.0036 0.0111 0.0147
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0517 0.3769
Schistosoma mansoni inositol monophosphatase 0.0112 0.0584 0.0771
Trypanosoma brucei thymidine kinase 0.0772 0.4698 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0126 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Plasmodium falciparum thymidylate kinase 0.0147 0.08 1
Trypanosoma brucei RNA helicase, putative 0.0227 0.1297 0.2721
Echinococcus granulosus GPCR family 2 0.0032 0.0085 0.0112
Leishmania major hypothetical protein, conserved 0.0051 0.0203 0.0378
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Brugia malayi hypothetical protein 0.0033 0.009 0.0655
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0058 0.0244 0.1781
Trypanosoma cruzi thymidylate kinase, putative 0.0147 0.08 0.1655
Onchocerca volvulus Putative thymidylate kinase 0.0147 0.08 0.5778
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Entamoeba histolytica Thymidylate kinase, putative 0.0147 0.08 0.1501
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0009 0.0012
Plasmodium vivax SET domain protein, putative 0.003 0.0074 0.082
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0058 0.0244 0.0467
Echinococcus multilocularis geminin 0.0171 0.0951 0.0951
Schistosoma mansoni loxhd1 0.002 0.0009 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0111 0.0182
Brugia malayi thymidylate kinase 0.0147 0.08 0.5826
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0134 0.0722 0.0952
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Schistosoma mansoni hypothetical protein 0.0032 0.0085 0.0112
Brugia malayi hypothetical protein 0.0036 0.0111 0.081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0517 0.3769
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0069 0.0317 0.0419
Schistosoma mansoni phosphoglucomutase 0.0023 0.0026 0.0034
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0126 0.0123
Echinococcus multilocularis thymidine kinase 0.1234 0.7578 0.7578
Schistosoma mansoni thyroid hormone receptor 0.0153 0.0837 0.1104
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0051 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0147 0.08 1
Schistosoma mansoni lamin 0.0054 0.0221 0.0292
Onchocerca volvulus 0.0036 0.0111 0.0805
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0111 0.0147
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0517 0.3769
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Echinococcus granulosus lamin 0.0054 0.0221 0.0292
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0112 0.0584 0.1194
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0221 0.1612
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0177 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0177 0.0234
Onchocerca volvulus 0.002 0.0009 0.0064
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0134 0.0722 0.0722
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0111 0.0147
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0074 0.0074
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0202 0.0377
Brugia malayi Pre-SET motif family protein 0.003 0.0074 0.0537
Schistosoma mansoni hypothetical protein 0.002 0.0009 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0289 0.0562
Leishmania major hypothetical protein, conserved 0.0058 0.0244 0.0466
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0203 0.2449
Schistosoma mansoni lamin 0.0054 0.0221 0.0292
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0085 0.0619
Brugia malayi Pre-SET motif family protein 0.0211 0.1202 0.8757
Trypanosoma cruzi thymidine kinase, putative 0.0772 0.4698 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0203 0.0378
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0126 0.0167
Trichomonas vaginalis inositol monophosphatase, putative 0.0112 0.0584 0.1194
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.1372 0.1811
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0203 0.2281
Treponema pallidum thymidylate kinase (tmk) 0.0147 0.08 1
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0126 0.092
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0111 0.0111
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0112 0.0584 0.7214
Echinococcus granulosus thymidine kinase 0.1234 0.7578 1
Echinococcus multilocularis dna polymerase eta 0.0039 0.0126 0.0126
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0221 0.1612
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0126 0.0217
Brugia malayi RNase H family protein 0.0023 0.0026 0.019
Entamoeba histolytica thymidine kinase, putative 0.0772 0.4698 1
Brugia malayi RNase H family protein 0.0023 0.0026 0.019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0177 0.0234
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0065 0.0474
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0177 0.0177
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0203 0.0378
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0126 0.0217
Brugia malayi Doublecortin family protein 0.002 0.0009 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0177 0.0234
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0058 0.0244 0.0466
Schistosoma mansoni thymidine kinase 0.1234 0.7578 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0177 0.1293
Brugia malayi Inositol-1 0.0112 0.0584 0.4256
Onchocerca volvulus 0.0049 0.0188 0.136
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0537
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0112 0.0584 0.1194
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0009 0.0009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Schistosoma mansoni thyroid hormone receptor 0.0153 0.0837 0.1104
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0058 0.0244 0.0291
Schistosoma mansoni hypothetical protein 0.016 0.0881 0.1163
Schistosoma mansoni ap endonuclease 0.0058 0.0244 0.0323
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0058 0.0244 0.0466
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0171 0.0951 0.1255
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0112 0.0584 0.7214
Giardia lamblia CDC8 0.0147 0.08 0.0824
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0085 0.0619
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0112 0.0584 0.1194
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0074 0.0097
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0244 0.298
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0177 0.0234
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0047 0.0062
Trichomonas vaginalis esterase, putative 0.0036 0.0111 0.0182
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0254 0.0487
Schistosoma mansoni inositol monophosphatase 0.0112 0.0584 0.0771
Trypanosoma brucei unspecified product 0.0028 0.0058 0.0068
Schistosoma mansoni hypothetical protein 0.0134 0.0722 0.0952
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0244 0.298
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1202 0.8757
Brugia malayi beta-lactamase 0.0036 0.0111 0.0811
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0126 0.0214
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0126 0.0123
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0126 0.0214
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0085 0.0085
Echinococcus multilocularis ribonuclease H1 0.0023 0.0026 0.0026
Echinococcus multilocularis thyroid hormone receptor alpha 0.0153 0.0837 0.0837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0177 0.1293
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0058 0.0244 0.0467
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0058 0.0068
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0111 0.0147
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0221 0.1612
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0067 0.0088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0058 0.0244 0.0467
Leishmania major cathepsin L-like protease 0.0065 0.0289 0.0562
Schistosoma mansoni phosphoglucomutase 0.0023 0.0026 0.0034
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0126 0.0126
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0111 0.0182
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0009 0.0009
Trichomonas vaginalis set domain proteins, putative 0.0241 0.1384 0.2906
Schistosoma mansoni polycystin 1-related 0.002 0.0009 0.0012
Leishmania major hypothetical protein, conserved 0.0036 0.0111 0.0182
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0244 0.0467
Giardia lamblia Deoxynucleoside kinase 0.153 0.9417 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0111 0.0182
Leishmania major DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0126 0.0214
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.1372 0.1372
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0058 0.0068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0058 0.0244 0.0323
Echinococcus granulosus geminin 0.0171 0.0951 0.1255
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0058 0.0244 0.2823
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0289 0.0562
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0074 0.0097
Echinococcus multilocularis RUN 0.002 0.0009 0.0009
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0111 0.0182
Giardia lamblia DINP protein human, muc B family 0.0039 0.0126 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0126 0.0214
Echinococcus multilocularis musashi 0.0054 0.0221 0.0221
Toxoplasma gondii thymidylate kinase 0.0147 0.08 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0112 0.0584 0.6869
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0112 0.0584 0.1194
Loa Loa (eye worm) hypothetical protein 0.0025 0.0041 0.0299
Trichomonas vaginalis thymidine kinase, putative 0.0772 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Leishmania major DNA polymerase eta, putative 0.0039 0.0126 0.0214
Loa Loa (eye worm) hypothetical protein 0.0069 0.0317 0.2311
Schistosoma mansoni thymidylate kinase 0.0147 0.08 0.1055
Echinococcus granulosus thymidine kinase 0.1234 0.7578 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0126 0.0214
Trypanosoma cruzi thymidine kinase, putative 0.0772 0.4698 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0232 0.0232
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0289 0.0562
Brugia malayi hypothetical protein 0.0239 0.1372 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0028 0.0058 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0058 0.0244 0.0467
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0051 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0051 0.0054
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0112 0.0584 0.1194
Echinococcus granulosus RUN 0.002 0.0009 0.0012
Loa Loa (eye worm) thymidylate kinase 0.0147 0.08 0.5826
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.1332 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0111 0.1296
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0009 0.0012
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0027 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0111 0.0147
Echinococcus multilocularis lamin dm0 0.0054 0.0221 0.0221
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0085 0.0112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Brugia malayi hypothetical protein 0.002 0.0009 0.0065
Schistosoma mansoni phosphoglucomutase 0.0023 0.0026 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Onchocerca volvulus 0.0054 0.0221 0.1599
Loa Loa (eye worm) hypothetical protein 0.0053 0.0215 0.1567
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0009 0.0009
Leishmania major cathepsin L-like protease 0.0065 0.0289 0.0562
Echinococcus multilocularis thymidine kinase 0.1234 0.7578 0.7578
Schistosoma mansoni intermediate filament proteins 0.0054 0.0221 0.0292
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0126 0.0214
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0074 0.0097
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0058 0.0068
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0027 0.0027
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0126 0.092
Toxoplasma gondii ABC1 family protein 0.0036 0.0111 0.1102
Brugia malayi beta-lactamase family protein 0.0036 0.0111 0.0811
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0111 0.0811
Echinococcus multilocularis thymidylate kinase 0.0147 0.08 0.08
Echinococcus multilocularis inositol monophosphatase 1 0.0112 0.0584 0.0584
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0112 0.0584 0.1194
Trichomonas vaginalis thymidine kinase, putative 0.0772 0.4698 1
Plasmodium vivax thymidylate kinase, putative 0.0147 0.08 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0085 0.0619
Schistosoma mansoni hypothetical protein 0.0032 0.0085 0.0112
Loa Loa (eye worm) inositol-1 0.0112 0.0584 0.4256
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0074 0.0074
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0058 0.0244 0.0233
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0147 0.08 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0177 0.0234
Echinococcus granulosus thymidylate kinase 0.0147 0.08 0.1055
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0009 0.0012
Echinococcus granulosus dna polymerase kappa 0.0039 0.0126 0.0167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Echinococcus multilocularis lamin 0.0054 0.0221 0.0221
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0058 0.0244 0.1934
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.01 0.0511 0.3273
Onchocerca volvulus 0.003 0.0074 0.0533
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0111 0.0147
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0058 0.0244 0.0244
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0032 0.0085 0.0112
Schistosoma mansoni hypothetical protein 0.0049 0.0188 0.0248
Onchocerca volvulus 0.0036 0.0111 0.0805
Schistosoma mansoni hypothetical protein 0.0171 0.0951 0.1255
Loa Loa (eye worm) hypothetical protein 0.0039 0.0126 0.092
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0126 0.0033
Leishmania major cathepsin L-like protease 0.0065 0.0289 0.0562
Loa Loa (eye worm) beta-lactamase 0.0036 0.0111 0.0811
Onchocerca volvulus 0.002 0.0009 0.0064
Schistosoma mansoni hypothetical protein 0.0227 0.1297 0.1712
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0126 0.0167
Echinococcus granulosus dna polymerase eta 0.0039 0.0126 0.0167
Trypanosoma brucei thymidylate kinase, putative 0.0147 0.08 0.1655
Loa Loa (eye worm) hypothetical protein 0.0101 0.0517 0.3769
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0111 0.0182
Loa Loa (eye worm) hypothetical protein 0.0025 0.0041 0.0299
Onchocerca volvulus 0.0054 0.0221 0.1599
Leishmania major thymidine kinase, putative 0.0772 0.4698 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0188 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0074 0.0097
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0074 0.0097
Schistosoma mansoni thymidylate kinase 0.0147 0.08 0.1055
Echinococcus granulosus inositol monophosphatase 1 0.0112 0.0584 0.0771
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0203 0.0378
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0111 0.0182
Trypanosoma brucei unspecified product 0.0027 0.0051 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0289 0.0562
Trypanosoma brucei thymidylate kinase, putative 0.0147 0.08 0.1655
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Loa Loa (eye worm) hypothetical protein 0.0026 0.0047 0.0344
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0126 0.092
Echinococcus multilocularis transfer RNA-Ile 0.1234 0.7578 0.7578
Onchocerca volvulus 0.0241 0.1384 1
Mycobacterium ulcerans thymidylate kinase 0.0147 0.08 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0126 0.0214
Giardia lamblia Thymidine kinase 0.0772 0.4698 0.4976
Brugia malayi hypothetical protein 0.0051 0.0203 0.1476
Brugia malayi intermediate filament protein 0.0054 0.0221 0.1612
Toxoplasma gondii exonuclease III APE 0.0058 0.0244 0.2823
Trichomonas vaginalis thymidylate kinase, putative 0.0147 0.08 0.1655
Echinococcus multilocularis GPCR, family 2 0.0032 0.0085 0.0085
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0244 0.0467
Echinococcus granulosus lamin dm0 0.0054 0.0221 0.0292
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0126 0.0214
Brugia malayi beta-lactamase family protein 0.0036 0.0111 0.0811
Onchocerca volvulus Ribonuclease H1 homolog 0.0023 0.0026 0.0189
Leishmania major thymidylate kinase-like protein 0.0147 0.08 0.1655
Schistosoma mansoni DNA polymerase eta 0.0039 0.0126 0.0167
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0232 0.0306
Brugia malayi exodeoxyribonuclease III family protein 0.0058 0.0244 0.1781
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0111 0.0182
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0065 0.0474
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0289 0.0562
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Brugia malayi RNase H family protein 0.0023 0.0026 0.019
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0112 0.0584 0.1031
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.01 0.0511 0.5804
Schistosoma mansoni lipoxygenase 0.002 0.0009 0.0012
Schistosoma mansoni rab6-interacting 0.002 0.0009 0.0012
Trypanosoma brucei unspecified product 0.0027 0.0051 0.0054
Schistosoma mansoni ap endonuclease 0.0058 0.0244 0.0323
Brugia malayi hypothetical protein 0.002 0.0009 0.0065
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0058 0.0244 0.1091
Trichomonas vaginalis thymidylate kinase, putative 0.0147 0.08 0.1655
Onchocerca volvulus 0.0036 0.0111 0.0805
Chlamydia trachomatis thymidylate kinase 0.0147 0.08 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0111 0.0811
Schistosoma mansoni hypothetical protein 0.0023 0.0027 0.0036
Treponema pallidum exodeoxyribonuclease (exoA) 0.0058 0.0244 0.2823
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0203 0.2449
Trypanosoma cruzi thymidylate kinase, putative 0.0147 0.08 0.1655
Trypanosoma brucei unspecified product 0.0039 0.0126 0.0214
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0111 0.0811
Schistosoma mansoni rab6-interacting 0.002 0.0009 0.0012
Schistosoma mansoni hypothetical protein 0.0032 0.0085 0.0112
Echinococcus granulosus ribonuclease H1 0.0023 0.0026 0.0034

Activities

Activity type Activity value Assay description Source Reference
LD50 (ADMET) = 0.75 mM kg-1 LD50 value was determined intra-muscularly in mouse ChEMBL. 2016712
LD50 (ADMET) = 0.75 mM kg-1 LD50 value was determined intra-muscularly in mouse ChEMBL. 2016712
No. of survivors (functional) = 6 antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at the dose 1/4 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 8 Antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at a dose 1/16 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 8 Antidotal activity measured in mice exposed to tabun; activity expressed as the no. of survivors at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 0 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/64 of 2LD50 of soman at 60 min ChEMBL. 2016712
No. of survivors (functional) = 5 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of soman at 60 min ChEMBL. 2016712
No. of survivors (functional) = 6 antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at the dose 1/4 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 6 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of soman at 15 min ChEMBL. 2016712
No. of survivors (functional) = 7 Antidotal activity against tabun in mice, activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/64 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 7 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/64 of 2LD50 of soman at 15 min ChEMBL. 2016712
No. of survivors (functional) = 7 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of soman at 60 min ChEMBL. 2016712
No. of survivors (functional) = 8 Antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at a dose 1/16 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 8 Antidotal activity measured in mice exposed to tabun; activity expressed as the no. of survivors at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 8 Antidotal activity was measured against tabun in mice, activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound ChEMBL. 2016712
No. of survivors (functional) = 8 pretreatment efficacy was measured against soman in mice and activity expressed as the no. of survivors noted at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of soman at 15 min ChEMBL. 2016712
No. of survivors (functional) = 9 Antidotal activity was measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice (exposed intramuscularly at the dose 1/64 of 2LD50) ChEMBL. 2016712

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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