Detailed information for compound 1431710

Basic information

Technical information
  • TDR Targets ID: 1431710
  • Name: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-naphth alen-1-ylurea
  • MW: 326.436 | Formula: C19H26N4O
  • H donors: 2 H acceptors: 1 LogP: 2.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)CCCNC(=O)Nc1cccc2c1cccc2
  • InChi: 1S/C19H26N4O/c1-22-12-14-23(15-13-22)11-5-10-20-19(24)21-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9H,5,10-15H2,1H3,(H2,20,21,24)
  • InChiKey: VXRBQCRMLCIXMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(1-naphthyl)urea
  • 1-[3-(4-methyl-1-piperazinyl)propyl]-3-(1-naphthyl)urea
  • 1-[3-(4-methylpiperazin-1-yl)propyl]-3-naphthalen-1-yl-urea
  • N-[3-(4-methylpiperazin-1-yl)propyl]-N'-1-naphthylurea
  • SMR000025399
  • MLS000090796

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0076 0.1868
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0197 0.0366 1
Trypanosoma brucei cytochrome P450, putative 0.0033 0.003 0.1509
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0197 0.0366 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0009 0.5
Toxoplasma gondii aspartyl protease ASP3 0.0197 0.0366 0.0672
Brugia malayi prolyl 4-hydroxylase 0.0091 0.0149 0.3919
Plasmodium falciparum plasmepsin X 0.0197 0.0366 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0033 0.003 0.1436
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0091 0.0149 0.3919
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Leishmania major hypothetical protein, conserved 0.0091 0.0149 1
Plasmodium vivax aspartyl protease, putative 0.0197 0.0366 1
Plasmodium falciparum plasmepsin II 0.0197 0.0366 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0258 0.7052
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0197 0.0366 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0089 0.2251
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0009 0.0249
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.2614 0.5316 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0029 0.137
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0091 0.0149 0.4071
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0076 0.2071
Toxoplasma gondii aspartyl protease ASP1 0.0197 0.0366 0.0672
Loa Loa (eye worm) aspartyl protease 6 0.0197 0.0366 1
Brugia malayi hypothetical protein 0.0197 0.0366 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 0.412
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0009 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.003 0.0826
Loa Loa (eye worm) hypothetical protein 0.0094 0.0156 0.4266
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0089 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0156 0.412
Brugia malayi hypothetical protein 0.0197 0.0366 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0149 0.4071
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0089 0.4744
Plasmodium falciparum plasmepsin IV 0.0197 0.0366 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.003 0.0591
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0076 0.1868
Plasmodium falciparum plasmepsin VI 0.0197 0.0366 1
Leishmania major hypothetical protein, unknown function 0.0091 0.0149 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0197 0.0366 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0091 0.0149 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0156 0.0277
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0258 0.7052
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.003 0.0826
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0156 0.412
Schistosoma mansoni cathepsin D (A01 family) 0.0197 0.0366 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0076 0.1868
Loa Loa (eye worm) hypothetical protein 0.0091 0.0149 0.4071
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0197 0.0366 0.0672
Plasmodium vivax aspartyl proteinase, putative 0.0197 0.0366 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0156 0.0277
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0091 0.0149 1
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0091 0.0149 0.3919
Plasmodium falciparum plasmepsin VII 0.0197 0.0366 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.003 0.0591
Plasmodium falciparum plasmepsin IX 0.0197 0.0366 1
Brugia malayi Probable ClpP-like protease 0.0094 0.0156 0.412
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.003 0.1509
Plasmodium vivax aspartyl protease, putative 0.0197 0.0366 1
Plasmodium vivax plasmepsin IV, putative 0.0197 0.0366 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0076 0.1868
Loa Loa (eye worm) hypothetical protein 0.0197 0.0366 1
Onchocerca volvulus 0.0197 0.0366 1
Plasmodium vivax aspartyl protease, putative 0.0197 0.0366 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0091 0.0149 0.0263
Plasmodium vivax aspartyl proteinase, putative 0.0197 0.0366 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0076 0.1868
Loa Loa (eye worm) CYP4Cod1 0.0033 0.003 0.0826
Plasmodium falciparum plasmepsin I 0.0197 0.0366 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0197 0.0366 1
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0091 0.0149 0.0263
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0156 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 1
Plasmodium falciparum plasmepsin III 0.0197 0.0366 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Brugia malayi aspartic protease BmAsp-1, identical 0.0197 0.0366 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.0366 1
Plasmodium falciparum plasmepsin VIII, putative 0.0197 0.0366 1
Leishmania major cytochrome p450-like protein 0.0033 0.003 0.1509
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0076 0.0067
Brugia malayi Pepsin A precursor 0.0197 0.0366 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0076 0.0067
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0197 0.0366 0.0672
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0197 0.0366 1
Plasmodium falciparum plasmepsin V 0.0197 0.0366 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0156 0.412
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0091 0.0149 0.014
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0156 0.0147
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0156 1
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0091 0.0149 0.0263
Plasmodium vivax plasmepsin V, putative 0.0197 0.0366 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0091 0.0149 0.0263
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0029 0.0564
Onchocerca volvulus 0.0197 0.0366 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0076 0.0067
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0029 0.0564
Brugia malayi aspartic protease BmAsp-2, identical 0.0197 0.0366 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0366 0.0357
Toxoplasma gondii aspartyl protease 0.0197 0.0366 0.0672
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0197 0.0366 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0089 0.2251
Schistosoma mansoni cathepsin D (A01 family) 0.0197 0.0366 0.0357
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0091 0.0149 1
Toxoplasma gondii hypothetical protein 0.0033 0.0029 0.0038
Brugia malayi MH2 domain containing protein 0.0144 0.0258 0.6976
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0089 1
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.003 0.1509

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) 66.7 uM PubChem BioAssay. Dose Response Assay for Formylpeptide Receptor (FPR) Ligands and Dose Response Counter-Screen Assay for Formylpeptide-Like-1 (FPRL1) Ligands. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0093 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) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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