Detailed information for compound 607462

Basic information

Technical information
  • TDR Targets ID: 607462
  • Name: 2-[1-[(4-methylpyridin-2-yl)amino]ethylidene] propanedinitrile
  • MW: 198.224 | Formula: C11H10N4
  • H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=C(Nc1nccc(c1)C)C)C#N
  • InChi: 1S/C11H10N4/c1-8-3-4-14-11(5-8)15-9(2)10(6-12)7-13/h3-5H,1-2H3,(H,14,15)
  • InChiKey: BYXZLIIZDWGGLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-[(4-methyl-2-pyridyl)amino]ethylidene]propanedinitrile
  • 2-[1-[(4-methyl-2-pyridyl)amino]ethylidene]malononitrile
  • ChemDiv3_013262

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
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0078 0.0712
Giardia lamblia DINP protein human, muc B family 0.0043 0.0078 1
Echinococcus granulosus dna polymerase kappa 0.0043 0.0078 0.0216
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.018 0.0554
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0213 0.1049 0.3411
Schistosoma mansoni hypothetical protein 0.0337 0.1756 0.5739
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0043 0.0078 0.0216
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.1095 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0012 0.0141
Brugia malayi mbt repeat family protein 0.0052 0.0129 0.0548
Schistosoma mansoni hypothetical protein 0.0564 0.3051 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.041 0.1311
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0116 0.0495 0.2102
Brugia malayi beta-lactamase family protein 0.0116 0.0495 0.2102
Plasmodium vivax SET domain protein, putative 0.0063 0.0194 0.2244
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0078 0.0712
Schistosoma mansoni terminal deoxycytidyl transferase 0.0043 0.0078 0.0216
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0194 0.0182
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0042 0.007 0.0299
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0129 0.0434
Mycobacterium ulcerans esterase/lipase LipP 0.0116 0.0495 0.2993
Trypanosoma brucei DNA polymerase eta, putative 0.0072 0.0245 0.2239
Echinococcus multilocularis geminin 0.0564 0.3051 0.3043
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0078 0.0048
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.0495 0.165
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0217 0.0674
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0217 0.1982
Mycobacterium leprae conserved hypothetical protein 0.0116 0.0495 0.4551
Brugia malayi beta-lactamase 0.0116 0.0495 0.2102
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0442 0.2355 1
Trichomonas vaginalis glutaminase, putative 0.0295 0.1516 0.5511
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0012 0.0111
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.041 0.0399
Loa Loa (eye worm) beta-lactamase 0.0116 0.0495 0.2102
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Loa Loa (eye worm) hypothetical protein 0.0072 0.0245 0.1041
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0129 0.0117
Schistosoma mansoni hypothetical protein 0.0564 0.3051 1
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0083 0.0071
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0012 0.0142
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0118 0.0508 0.1121
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0042 0.007 0.0815
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.0495 0.165
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0042 0.007 0.0299
Schistosoma mansoni ap endonuclease 0.004 0.0059 0.0153
Plasmodium falciparum importin beta, putative 0.0032 0.0012 0.0141
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.0078 0.0712
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.017 0.0723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0059 0.0537
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0078 0.0072
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 0.5522
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.017 0.052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.0495 0.1589
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0059 0.0153
Loa Loa (eye worm) hypothetical protein 0.0059 0.017 0.0723
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0116 0.0495 0.1088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0164 0.0698
Leishmania major DNA polymerase eta, putative 0.0072 0.0245 0.2239
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.041 0.1743
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0217 0.0921
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0078 0.0066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0164 0.0698
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0301 0.0951
Loa Loa (eye worm) glutaminase 2 0.0295 0.1516 0.6438
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.005 0.0125
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0042 0.007 0.0815
Echinococcus multilocularis snurportin 1 0.0337 0.1756 0.1746
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0116 0.0495 0.2993
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0194 0.0597
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.041 0.1311
Loa Loa (eye worm) glutaminase 0.0295 0.1516 0.6438
Loa Loa (eye worm) hypothetical protein 0.0052 0.0129 0.0548
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0062 0.0187 0.1597
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.005 0.0038
Brugia malayi ImpB/MucB/SamB family protein 0.0072 0.0245 0.1041
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0078 0.0331
Onchocerca volvulus 0.0116 0.0495 0.1794
Brugia malayi Probable ClpP-like protease 0.0181 0.0863 0.3667
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0217 0.1982
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0217 0.0205
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0129 0.0385
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0055 0.014
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0213 0.1049 0.1038
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.005 0.0125
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0042 0.007 0.0192
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0042 0.007 0.0643
Echinococcus granulosus beta LACTamase domain containing family member 0.0116 0.0495 0.1589
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.041 0.1743
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0194 0.0597
Brugia malayi RNA, U transporter 1 0.009 0.0345 0.1463
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0042 0.007 0.0058
Mycobacterium tuberculosis Probable esterase LipL 0.0116 0.0495 0.1088
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0129 0.0548
Toxoplasma gondii exonuclease III APE 0.004 0.0059 0.068
Loa Loa (eye worm) hypothetical protein 0.0166 0.0777 0.3298
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0217 0.1982
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.041 0.1311
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0495 0.165
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0118 0.0508 0.4744
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0181 0.0863 0.2801
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0217 1
Mycobacterium tuberculosis Probable lipase LipE 0.0116 0.0495 0.1088
Leishmania major hypothetical protein, conserved 0.0221 0.1095 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0194 0.0597
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0078 0.0712
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0002 0.0014
Brugia malayi Bromodomain containing protein 0.0032 0.0012 0.0052
Loa Loa (eye worm) hypothetical protein 0.004 0.0059 0.0251
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0012 0.0111
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.017 0.052
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0042 0.007 0.0299
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0043 0.0078 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0495 0.165
Loa Loa (eye worm) hypothetical protein 0.0058 0.0164 0.0698
Echinococcus granulosus geminin 0.0564 0.3051 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0217 0.0921
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.0495 0.4521
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0062 0.0187 0.2169
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 0.5522
Echinococcus granulosus snurportin 1 0.0337 0.1756 0.5739
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.017 0.0158
Leishmania major DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0204 0.0868
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0078 0.0072
Onchocerca volvulus 0.0052 0.0129 0.0434
Toxoplasma gondii ABC1 family protein 0.0116 0.0495 0.5733
Trypanosoma brucei unspecified product 0.003 0.0002 0.0014
Echinococcus granulosus peptidase Clp S14 family 0.0118 0.0508 0.1632
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0042 0.007 0.0044
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0042 0.007 0.0643
Plasmodium vivax hypothetical protein, conserved 0.0116 0.0495 0.5733
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0129 0.0117
Loa Loa (eye worm) hypothetical protein 0.0181 0.0863 0.3667
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.017 0.052
Schistosoma mansoni peptidase Clp (S14 family) 0.0181 0.0863 0.2801
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0043 0.0078 0.0066
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.0078 0.0048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.041 0.0399
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0062 0.0187 0.2169
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.0495 0.4521
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0002 0.0014
Mycobacterium tuberculosis Conserved protein 0.0116 0.0495 0.1088
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0059 0.025
Leishmania major DNA polymerase eta, putative 0.0043 0.0075 0.0689
Brugia malayi mbt repeat family protein 0.0052 0.0129 0.0548
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0059 0.068
Trypanosoma brucei hypothetical protein, conserved 0.0221 0.1095 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.041 0.1311
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0012 0.0052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0742 0.4068 1
Brugia malayi jmjC domain containing protein 0.0038 0.005 0.0213
Echinococcus multilocularis dna polymerase eta 0.0072 0.0245 0.0233
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0059 0.0537
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0116 0.0495 0.1088
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0042 0.007 0.0044
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0194 0.2244
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0042 0.007 0.0643
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.06
Leishmania major hypothetical protein, conserved 0.0116 0.0495 0.4521
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 1
Schistosoma mansoni glutaminase 0.0295 0.1516 0.4948
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0043 0.0078 0.0216
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0217 0.0674
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0059 0.068
Loa Loa (eye worm) hypothetical protein 0.0063 0.0194 0.0823
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.005 0.0125
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0059 0.0047
Schistosoma mansoni hypothetical protein 0.004 0.0059 0.0155
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0042 0.007 0.0643
Trypanosoma cruzi DNA polymerase eta, putative 0.0072 0.0245 0.2239
Schistosoma mansoni DNA polymerase eta 0.0072 0.0245 0.0766
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0337 0.1756 0.7459
Brugia malayi beta-lactamase family protein 0.0116 0.0495 0.2102
Brugia malayi Pre-SET motif family protein 0.0063 0.0194 0.0823
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0129 0.0385
Echinococcus multilocularis beta LACTamase domain containing family member 0.0116 0.0495 0.0483
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0181 0.0863 1
Trichomonas vaginalis esterase, putative 0.0116 0.0495 0.165
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0042 0.007 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0078 0.0132
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0194 0.0182
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0116 0.0495 0.1088
Brugia malayi glutaminase DH11.1 0.0295 0.1516 0.6438
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Mycobacterium ulcerans beta-lactamase 0.0116 0.0495 0.2993
Mycobacterium tuberculosis Probable lipase LipD 0.0116 0.0495 0.1088
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0012 0.0142
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0118 0.0508 0.1121
Mycobacterium tuberculosis Conserved protein 0.0116 0.0495 0.1088
Onchocerca volvulus 0.0116 0.0495 0.1794
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0181 0.0863 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0059 0.0537
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0083 0.0233
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0116 0.0495 0.2102
Trypanosoma brucei unspecified product 0.003 0.0002 0.0014
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0059 0.0251
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0129 0.0385
Mycobacterium ulcerans hypothetical protein 0.0116 0.0495 0.2993
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0059 0.0537
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 1
Mycobacterium ulcerans glutaminase 0.0295 0.1516 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0059 0.708
Onchocerca volvulus 0.0503 0.2703 1
Mycobacterium tuberculosis Probable hydrolase 0.0116 0.0495 0.1088
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0181 0.0863 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.041 0.1311
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.005 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0194 0.0597
Trypanosoma brucei unspecified product 0.0043 0.0078 0.0712
Plasmodium falciparum phd finger protein, putative 0.0032 0.0012 0.0142
Trichomonas vaginalis set domain proteins, putative 0.0503 0.2703 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0164 0.0698
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0059 0.025
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0055 0.0043
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0012 0.0141
Brugia malayi hypothetical protein 0.0166 0.0777 0.3298
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0495 0.165
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0194 0.0597
Entamoeba histolytica deoxycytidyl transferase, putative 0.0043 0.0078 0.1212
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0181 0.0863 0.0852
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0217 0.1982
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0181 0.0863 1
Brugia malayi PHD-finger family protein 0.0032 0.0012 0.0052
Mycobacterium ulcerans lipase LipD 0.0116 0.0495 0.2993
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.0495 0.4521
Loa Loa (eye worm) MBCTL1 0.0059 0.017 0.0723
Mycobacterium tuberculosis Conserved protein 0.0116 0.0495 0.1088
Onchocerca volvulus 0.0063 0.0194 0.0674
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0042 0.007 0.0192
Mycobacterium leprae Probable lipase LipE 0.0116 0.0495 0.4551
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0078 0.0712
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.0423 0.0411
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0043 0.0075 0.0873
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0052
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.0423 0.1351
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0012 0.0142
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0042 0.007 0.0299
Toxoplasma gondii hypothetical protein 0.0062 0.0187 0.2169
Brugia malayi Importin beta-1 subunit 0.0032 0.0012 0.0052
Echinococcus granulosus dna polymerase eta 0.0072 0.0245 0.0766
Echinococcus multilocularis peptidase Clp (S14 family) 0.0118 0.0508 0.0496
Schistosoma mansoni hypothetical protein 0.0325 0.1684 0.5502
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.017 0.0158
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0075 0.0689
Brugia malayi Pre-SET motif family protein 0.0442 0.2355 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.0495 0.1589
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.1095 1
Onchocerca volvulus 0.0116 0.0495 0.1794
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0129 0.0385
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0181 0.0863 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0078 0.0132
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0042 0.007 0.0815
Loa Loa (eye worm) hypothetical protein 0.0116 0.0495 0.2102
Brugia malayi jmjC domain containing protein 0.0104 0.0423 0.1795
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0129 0.0385
Onchocerca volvulus 0.0166 0.0777 0.284
Schistosoma mansoni ap endonuclease 0.004 0.0059 0.0153

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.549 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.549 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.795 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.795 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.07692 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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