Detailed information for compound 1412982

Basic information

Technical information
  • TDR Targets ID: 1412982
  • Name: 4-tert-butyl-N-[2-[(3,4-dimethoxyphenyl)methy lamino]-2-oxoethyl]benzamide
  • MW: 384.469 | Formula: C22H28N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CNC(=O)CNC(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C22H28N2O4/c1-22(2,3)17-9-7-16(8-10-17)21(26)24-14-20(25)23-13-15-6-11-18(27-4)19(12-15)28-5/h6-12H,13-14H2,1-5H3,(H,23,25)(H,24,26)
  • InChiKey: OZNXMPIFHLKUCR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-tert-butyl-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]benzamide
  • 4-tert-butyl-N-[2-[(3,4-dimethoxybenzyl)amino]-2-keto-ethyl]benzamide
  • T5316102
  • ZINC03429410

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
Mycobacterium ulcerans glutaminase 0.1079 0.404 0.3998
Leishmania major cathepsin L-like protease 0.0064 0.0178 0.0755
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0146 0.8605
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.008 0.444
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Echinococcus granulosus lamin dm0 0.0053 0.0136 0.1109
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0031 0.0254
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0232 0.0816 0.6644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Schistosoma mansoni DNA polymerase eta 0.0068 0.0194 0.0479
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0056 0.0146 0.1192
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0287 0.1026 0.4553
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0309 0.1109 0.1045
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Echinococcus multilocularis lamin dm0 0.0053 0.0136 0.1109
Echinococcus granulosus phd:f box containing protein 0.0062 0.0169 0.1373
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0607 0.2242 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0046 0.2295
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.008 0.444
Loa Loa (eye worm) hypothetical protein 0.0039 0.008 0.0198
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0085 0.0258 0.1114
Brugia malayi exodeoxyribonuclease III family protein 0.0056 0.0146 0.0363
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0071 0.0154
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0309 0.1109 0.1045
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0552 0.2033 0.1976
Entamoeba histolytica deoxycytidyl transferase, putative 0.0043 0.0096 0.0835
Echinococcus granulosus 6 phosphofructokinase 0.011 0.035 0.2849
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0009 0.0075
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0009 0.0000000011677
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0096 0.0215
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0056 0.0146 0.0076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.0731 0.181
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Schistosoma mansoni protein phosphatase 2C 0.0062 0.0169 0.0418
Echinococcus granulosus leucyl tRNA synthetase 0.0039 0.008 0.0652
Leishmania major ATP-dependent phosphofructokinase 0.011 0.035 0.1526
Chlamydia trachomatis transglycolase/transpeptidase 0.062 0.2291 0.5932
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0048 0.0388
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.1047 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0031 0.0254
Brugia malayi Pre-SET motif family protein 0.003 0.0048 0.0118
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0895 0.3338 0.329
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0062 0.0169 0.0418
Schistosoma mansoni intermediate filament proteins 0.0053 0.0136 0.0337
Schistosoma mansoni 6-phosphofructokinase 0.011 0.035 0.0866
Schistosoma mansoni glutaminase 0.1079 0.404 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0607 0.2242 1
Brugia malayi beta-lactamase family protein 0.0036 0.0071 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0046 0.1235
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0071 0.0154
Echinococcus multilocularis geminin 0.034 0.1229 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0048 0.0388
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0071 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0062 0.1787
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0046 0.0353
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.035 0.0845
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0169 0.0418
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.1047 0.1792
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1024 0.3832 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0232 0.0816 0.202
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0062 0.0154
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0552 0.2033 0.1976
Brugia malayi hypothetical protein 0.0876 0.3267 0.8086
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0096 0.0025
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0043 0.0096 0.0237
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0017 0.0041
Leishmania major hypothetical protein, conserved 0.0036 0.0071 0.0278
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0046 0.2295
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0552 0.2033 0.1976
Echinococcus granulosus JmjC domain containing protein 4 0.0062 0.0169 0.1373
Onchocerca volvulus 0.0053 0.0136 0.0417
Loa Loa (eye worm) glutaminase 0.1079 0.404 1
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.008 0.0198
Echinococcus multilocularis transcription factor btf3 0.0034 0.0062 0.0506
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0071 0.0278
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0062 0.0169 0.1373
Brugia malayi jmjC domain containing protein 0.0062 0.0169 0.0418
Entamoeba histolytica phosphofructokinase, putative 0.011 0.035 0.3284
Brugia malayi phosphofructokinase 0.011 0.035 0.0866
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0046 0.0353
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.035 0.0545
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.2646 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Echinococcus multilocularis lysine specific demethylase 5A 0.0232 0.0816 0.6644
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.0815 0.0749
Onchocerca volvulus 0.0239 0.0841 0.2575
Brugia malayi glutaminase DH11.1 0.1079 0.404 1
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0682
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0178 0.0755
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0062 0.0237
Loa Loa (eye worm) hypothetical protein 0.0025 0.0028 0.0068
Toxoplasma gondii hypothetical protein 0.0098 0.0306 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0901 0.3361 0.3313
Leishmania major cathepsin L-like protease 0.0064 0.0178 0.0755
Entamoeba histolytica hypothetical protein 0.0034 0.0062 0.051
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0056 0.0146 0.0615
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.035 0.0866
Giardia lamblia Cysteinyl-tRNA synthetase 0.0039 0.008 0.0682
Loa Loa (eye worm) phosphofructokinase 0.011 0.035 0.0866
Brugia malayi jmjC domain containing protein 0.0062 0.0169 0.0418
Brugia malayi intermediate filament protein 0.0053 0.0136 0.0337
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0048 0.0118
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0287 0.1026 0.4553
Brugia malayi Cytochrome P450 family protein 0.0022 0.0017 0.0041
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0048 0.0388
Echinococcus granulosus lamin 0.0053 0.0136 0.1109
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0096 0.0781
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0895 0.3338 0.329
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0062 0.0131
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0039 0.008 0.0009
Echinococcus granulosus cysteinyl tRNA synthetase 0.0039 0.008 0.0652
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0048 0.1298
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0071 0.0176
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0607 0.2242 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.035 0.0845
Brugia malayi jmjC domain containing protein 0.0232 0.0816 0.202
Loa Loa (eye worm) hypothetical protein 0.0876 0.3267 0.8086
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.035 0.0866
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0901 0.3361 0.3313
Echinococcus multilocularis musashi 0.0053 0.0136 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Onchocerca volvulus 0.0053 0.0136 0.0417
Onchocerca volvulus 0.0036 0.0071 0.0218
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.035 0.1526
Entamoeba histolytica phosphofructokinase, putative 0.011 0.035 0.3284
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0062 0.0169 0.1373
Loa Loa (eye worm) hypothetical protein 0.0068 0.0194 0.0479
Brugia malayi 6-phosphofructokinase 0.011 0.035 0.0866
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0085 0.0258 0.1114
Treponema pallidum penicillin-binding protein (pbp-1) 0.1024 0.3832 0.6778
Schistosoma mansoni lamin 0.0053 0.0136 0.0337
Echinococcus multilocularis JmjC domain containing protein 4 0.0062 0.0169 0.1373
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0045 0.0162
Schistosoma mansoni lamin 0.0053 0.0136 0.0337
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0009 0.0075
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0146 0.8189
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0062 0.0237
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0045 0.0162
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.035 0.2849
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0062 0.0237
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0136 0.0337
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0146 0.034
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0071 0.058
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0104 0.0329 0.1432
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0096 0.0388
Leishmania major DNA polymerase eta, putative 0.0068 0.0194 0.0826
Echinococcus multilocularis dna polymerase eta 0.0068 0.0194 0.1576
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0046 0.1235
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0176
Loa Loa (eye worm) hypothetical protein 0.0876 0.3267 0.8086
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0056 0.0146 0.1192
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.0821 0.2033
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0331 0.1194 0.1131
Schistosoma mansoni jumonji/arid domain-containing protein 0.0232 0.0816 0.202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.035 0.0281
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0071 0.0154
Loa Loa (eye worm) glutaminase 2 0.1079 0.404 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0009 0.0023
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0039 0.008 0.2389
Trichomonas vaginalis glutaminase, putative 0.1079 0.404 1
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0096 0.0388
Treponema pallidum penicillin-binding protein (pbp-2) 0.0901 0.3361 0.5936
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.1047 1
Schistosoma mansoni ap endonuclease 0.0056 0.0146 0.0363
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0056 0.0146 0.0177
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0062 0.0169 0.0714
Onchocerca volvulus 0.003 0.0048 0.0146
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0096 0.0025
Echinococcus granulosus geminin 0.034 0.1229 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0048 0.0118
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0157 0.066
Brugia malayi follicle stimulating hormone receptor 0.0233 0.0821 0.2033
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0044 0.0354
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0096 0.0215
Brugia malayi beta-NAC-like protein 0.0034 0.0062 0.0154
Loa Loa (eye worm) hypothetical protein 0.0062 0.0169 0.0418
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0136 0.0337
Trypanosoma brucei unspecified product 0.0029 0.0045 0.0162
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0071 0.2072
Onchocerca volvulus 0.0876 0.3267 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.0477 0.0409
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0046 0.0091
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0096 0.0388
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0009 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0062 0.0131
Treponema pallidum hypothetical protein 0.0309 0.1109 0.1903
Loa Loa (eye worm) hypothetical protein 0.0052 0.0133 0.0328
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0071 0.0176
Schistosoma mansoni phd/f-box containing protein 0.0062 0.0169 0.0418
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.035 0.0281
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0048 0.0118
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Loa Loa (eye worm) beta-lactamase 0.0036 0.0071 0.0176
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.2646 1 1
Schistosoma mansoni jumonji domain containing protein 0.0232 0.0816 0.202
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.008 0.0198
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.0477 0.0409
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0071 0.058
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0056 0.0146 0.1323
Echinococcus granulosus dna polymerase kappa 0.0043 0.0096 0.0781
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0456 0.1667 0.1607
Trichomonas vaginalis esterase, putative 0.0036 0.0071 0.0154
Leishmania major cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0317
Echinococcus granulosus bloom syndrome protein 0.002 0.0009 0.0075
Brugia malayi Pre-SET motif family protein 0.021 0.0731 0.181
Echinococcus multilocularis bloom syndrome protein 0.002 0.0009 0.0075
Plasmodium vivax SET domain protein, putative 0.003 0.0048 0.0152
Plasmodium vivax JmjC domain containing protein 0.0062 0.0169 1
Echinococcus granulosus dna polymerase eta 0.0068 0.0194 0.1576
Brugia malayi beta-lactamase 0.0036 0.0071 0.0176
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Echinococcus multilocularis lysine specific demethylase 6a 0.0062 0.0169 0.1373
Brugia malayi ImpB/MucB/SamB family protein 0.0068 0.0194 0.0479
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0056 0.0146 0.0076
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0085 0.0258 0.1114
Chlamydia trachomatis transglycolase/transpeptidase 0.1024 0.3832 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.0081 0.2435
Chlamydia trachomatis cysteine--tRNA ligase 0.0039 0.008 0.009
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Onchocerca volvulus 0.0036 0.0071 0.0218
Loa Loa (eye worm) hypothetical protein 0.0062 0.0169 0.0418
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0043 0.0096 0.0237
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0071 0.0154
Trypanosoma brucei unspecified product 0.0043 0.0096 0.0388
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.035 0.0845
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0039 0.008 0.0198
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0315 0.1132 0.1068
Schistosoma mansoni hypothetical protein 0.034 0.1229 0.3041
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0081 0.0323
Plasmodium vivax cysteine--tRNA ligase, putative 0.0039 0.008 0.2784
Brugia malayi jmjC domain containing protein 0.0062 0.0169 0.0418
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0046 0.1235
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0062 0.0169 0.5381
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0136 0.0337
Loa Loa (eye worm) hypothetical protein 0.0053 0.0136 0.0337
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0042 0.0104
Toxoplasma gondii ABC1 family protein 0.0036 0.0071 0.2094
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0071 0.0176
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0178 0.0755
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0062 0.0169 0.0714
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0056 0.0146 0.0615
Echinococcus multilocularis jumonji domain containing 1A 0.0062 0.0169 0.1373
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Loa Loa (eye worm) hypothetical protein 0.0062 0.0169 0.0418
Loa Loa (eye worm) runx1 0.011 0.0351 0.087
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0042 0.0104
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0146 0.034
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0009 0.0023
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0096 0.0237
Loa Loa (eye worm) jmjC domain-containing protein 0.0232 0.0816 0.202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0056 0.0146 0.1323
Schistosoma mansoni hypothetical protein 0.034 0.1229 0.3041
Mycobacterium ulcerans hypothetical protein 0.032 0.1149 0.1086
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0045 0.0162
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1189 0.4456 0.4416
Loa Loa (eye worm) hypothetical protein 0.003 0.0048 0.0118
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0009 0.0023
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0317
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.0096 0.0025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Entamoeba histolytica phosphofructokinase, putative 0.011 0.035 0.3284
Treponema pallidum penicillin-binding protein (pbp-3) 0.1497 0.5631 1
Brugia malayi jmjC domain containing protein 0.0062 0.0169 0.0418
Loa Loa (eye worm) RecQ helicase 0.002 0.0009 0.0023
Echinococcus granulosus lysine specific demethylase 5A 0.0232 0.0816 0.6644
Schistosoma mansoni phosphatidylserine receptor 0.0062 0.0169 0.0418
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.0096 0.0388
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0232 0.0816 0.6644
Mycobacterium tuberculosis Conserved hypothetical protein 0.032 0.1149 0.1086
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Leishmania major DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Leishmania major basic transcription factor 3a, putative 0.0034 0.0062 0.0237
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0062 0.332
Trichomonas vaginalis conserved hypothetical protein 0.0901 0.3361 0.8315
Treponema pallidum cysteinyl-tRNA synthetase 0.0039 0.008 0.0061
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0043 0.0096 0.0781
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0456 0.1667 0.1607
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0039 0.008 0.0652
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Schistosoma mansoni transcription factor btf3 0.0034 0.0062 0.0154
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Brugia malayi 6-phosphofructokinase 0.011 0.035 0.0866
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0169 0.0418
Echinococcus multilocularis Protein lozenge 0.011 0.0351 0.2861
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.035 0.1526
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0062 0.051
Brugia malayi beta-lactamase family protein 0.0036 0.0071 0.0176
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.0477 0.0409
Echinococcus granulosus intermediate filament protein 0.0053 0.0136 0.1109
Plasmodium falciparum JmjC domain-containing protein, putative 0.0062 0.0169 1
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0317
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0071 0.0154
Giardia lamblia DINP protein human, muc B family 0.0043 0.0096 0.0835
Schistosoma mansoni 6-phosphofructokinase 0.011 0.035 0.0866
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0176
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0062 0.0169 0.0714
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0062 0.0131
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.035 0.0281
Echinococcus granulosus jumonji domain containing 1A 0.0062 0.0169 0.1373
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0456 0.1667 0.1607
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0071 0.0278
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0096 0.0025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.1047 0.2574
Schistosoma mansoni ap endonuclease 0.0056 0.0146 0.0363
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0178 0.0755
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.035 0.0845
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0056 0.0146 0.0615
Trypanosoma brucei DNA polymerase eta, putative 0.0068 0.0194 0.0826
Leishmania major hypothetical protein, conserved 0.0062 0.0169 0.0714
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0062 0.0169 0.5381
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0039 0.008 0.0198
Onchocerca volvulus 0.0039 0.008 0.0245
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0043 0.0096 0.0781
Toxoplasma gondii exonuclease III APE 0.0056 0.0146 0.463
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0331 0.1194 0.1131
Brugia malayi jmjC domain containing protein 0.0232 0.0816 0.202
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0056 0.0146 0.0363
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0126 0.0521
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0009 0.0023
Treponema pallidum exodeoxyribonuclease (exoA) 0.0056 0.0146 0.018
Schistosoma mansoni lozenge 0.011 0.0351 0.087
Schistosoma mansoni DNA helicase recq1 0.002 0.0009 0.0023
Echinococcus granulosus transcription factor btf3 0.0034 0.0062 0.0506
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0178 0.0755
Leishmania major DNA polymerase eta, putative 0.0039 0.0081 0.0323
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.008 0.0317
Echinococcus multilocularis phd:f box containing protein 0.0062 0.0169 0.1373
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0071 0.0278
Leishmania major mitochondrial DNA polymerase beta 0.0607 0.2242 1
Trypanosoma brucei unspecified product 0.0029 0.0045 0.0162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Trichomonas vaginalis set domain proteins, putative 0.0239 0.0841 0.2064
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0895 0.3338 0.329
Trypanosoma cruzi DNA polymerase eta, putative 0.0068 0.0194 0.0826
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0056 0.0146 0.0615
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0046 0.0091
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0085 0.0258 0.1114
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0009 0.0075
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.1047 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0287 0.1026 0.4553
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0096 0.0388
Schistosoma mansoni DNA helicase recq5 0.002 0.0009 0.0023
Echinococcus granulosus lysine specific demethylase 6a 0.0062 0.0169 0.1373
Schistosoma mansoni terminal deoxycytidyl transferase 0.0043 0.0096 0.0237
Loa Loa (eye worm) hypothetical protein 0.0025 0.0028 0.0068
Echinococcus multilocularis lamin 0.0053 0.0136 0.1109
Loa Loa (eye worm) hypothetical protein 0.0026 0.0031 0.0077
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0169 0.0418
Leishmania major cathepsin L-like protease 0.0064 0.0178 0.0755
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0062 0.133
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0309 0.1109 0.1045
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0169 0.0418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0178 0.0755
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0048 0.0118
Onchocerca volvulus 0.0036 0.0071 0.0218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0586 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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